Proclavaminic acid
type: SmallMoleculeReference
xref: Reference/PubChem-compound 8883
xref: Reference/ChEBI CHEBI 15425
xref: Reference/CAS 112240-59-2
chemical formula: C8H14N2O4
molecular weight: 202.09535
structure: ChemicalStructure/PW C108717

Dihydroclavaminic acid
type: SmallMoleculeReference
xref: Reference/PubChem-compound 8884
xref: Reference/ChEBI CHEBI 15424
chemical formula: C8H12N2O4
molecular weight: 200.07971
structure: ChemicalStructure/PW C108718

Clavaminic acid
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 15423
xref: Reference/PubChem-compound 8885
chemical formula: C8H10N2O4
molecular weight: 198.06406
structure: ChemicalStructure/PW C108719

Reference/ChemSpider 17215925
type: UnificationXref
id: 17215925
db: ChemSpider

Dihydroclavaminic acid
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Dihydroclavaminic acid

Reference/ChemSpider 937
type: UnificationXref
id: 937
db: ChemSpider

Clavulanic Acid Biosynthesis
type: Pathway
pathway order: PathwayEnzymeReaction/2460143
pathway order: PathwayEnzymeReaction/2460144
pathway order: PathwayEnzymeReaction/2460150
pathway order: PathwayEnzymeReaction/2460149
pathway order: PathwayEnzymeReaction/2460147
pathway order: PathwayEnzymeReaction/2460148
pathway order: PathwayEnzymeReaction/2460145
pathway order: PathwayEnzymeReaction/2460146
pathway component: 1.14.11.21
pathway component: Reaction212523
pathway component: Reaction212524
pathway component: Reaction212517
pathway component: ReactionCatalysis202148
pathway component: ReactionCatalysis202149
pathway component: ReactionCatalysis202153
pathway component: ReactionCatalysis202154
pathway component: Reaction212520
pathway component: ReactionCatalysis202150
pathway component: ReactionCatalysis202151
pathway component: ReactionCatalysis202152
pathway component: 6.3.3.4
xref: Reference/SMPDB SMP0122582
xref: Reference/PathWhiz PW123893
organism: Streptomyces clavuligerus

Compound/PW C000200 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Urea
stoichiometric coefficient: 1.0

Compound/PW C108715 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Guanidinoproclavaminic acid
stoichiometric coefficient: 1.0

ChemicalStructure/PW C001420
type: ChemicalStructure
structure format: SMILES
structure data: O

Clavulanate-9-aldehyde
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 27819
xref: Reference/PubChem-compound 8886
chemical formula: C8H7NO5
molecular weight: 197.03242
structure: ChemicalStructure/PW C108720

Clavulanic acid
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 48947
xref: Reference/CAS 58001-44-8
xref: Reference/PubChem-compound 8887
chemical formula: C8H9NO5
molecular weight: 199.04807
structure: ChemicalStructure/PW C108721

Compound/PW C000143 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: NADP
stoichiometric coefficient: 1.0

Reference/CAS 57-13-6
type: UnificationXref
id: 57-13-6
db: CAS

L-Arginine
type: SmallMoleculeReference
xref: Reference/BioCyc ARG
xref: Reference/ChEBI CHEBI 16467
xref: Reference/CAS 74-79-3
xref: Reference/KEGG Compound C00062
xref: Reference/ChemSpider 6082
xref: Reference/PubChem-compound 28782
xref: Reference/HMDB HMDB0000517
chemical formula: C6H14N4O2
molecular weight: 174.11168
structure: ChemicalStructure/PW C000396

Adenosine monophosphate
type: SmallMoleculeReference
xref: Reference/CAS 61-19-8
xref: Reference/ChemSpider 5858
xref: Reference/HMDB HMDB0000045
xref: Reference/BioCyc AMP
xref: Reference/ChEBI CHEBI 16027
xref: Reference/PubChem-compound 6083
xref: Reference/KEGG Compound C00020
chemical formula: C10H14N5O7P
molecular weight: 347.06308
structure: ChemicalStructure/PW C000032

Reference/ChemSpider 50
type: UnificationXref
id: 50
db: ChemSpider

Reference/ChEBI CHEBI 16027
type: UnificationXref
id: CHEBI:16027
db: ChEBI

Proclavaminic acid
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Proclavaminic acid

Reference/HMDB HMDB0000538
type: UnificationXref
id: HMDB0000538
db: HMDB

Reference/CAS 58001-44-8
type: UnificationXref
id: 58001-44-8
db: CAS

Reference/BioCyc ATP
type: UnificationXref
id: ATP
db: BioCyc

Reference/ChEBI CHEBI 27819
type: UnificationXref
id: CHEBI:27819
db: ChEBI

Reference/PubChem-compound 51
type: UnificationXref
id: 51
db: PubChem-compound

Reference/ChEBI CHEBI 32963
type: UnificationXref
id: CHEBI:32963
db: ChEBI

Water
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Water

Reference/ChemSpider 559142
type: UnificationXref
id: 559142
db: ChemSpider

Succinate
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Succinate

Reference/CAS 53-59-8
type: UnificationXref
id: 53-59-8
db: CAS

Reference/ChemSpider 5742
type: UnificationXref
id: 5742
db: ChemSpider

Reference/PubChem-compound 1038
type: UnificationXref
id: 1038
db: PubChem-compound

Reference/ChemSpider 1143
type: UnificationXref
id: 1143
db: ChemSpider

Reference/ChEBI CHEBI 16474
type: UnificationXref
id: CHEBI:16474
db: ChEBI

Reference/ChemSpider 952
type: UnificationXref
id: 952
db: ChemSpider

Carbon dioxide
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Carbon dioxide

Reference/ChemSpider 274
type: UnificationXref
id: 274
db: ChemSpider

Reference/BioCyc UREA
type: UnificationXref
id: UREA
db: BioCyc

Oxoglutaric acid
type: SmallMoleculeReference
xref: Reference/CAS 328-50-7
xref: Reference/PubChem-compound 51
xref: Reference/BioCyc 2-KETOGLUTARATE
xref: Reference/HMDB HMDB0000208
xref: Reference/ChEBI CHEBI 30915
xref: Reference/KEGG Compound C00026
xref: Reference/ChemSpider 50
chemical formula: C5H6O5
molecular weight: 146.02153
structure: ChemicalStructure/PW C000134

D-Glyceraldehyde 3-phosphate
type: SmallMolecule
cellular location: Cytoplasm
entity reference: D-Glyceraldehyde 3-phosphate

Reference/BioCyc ARG
type: UnificationXref
id: ARG
db: BioCyc

Reference/ChemSpider 5858
type: UnificationXref
id: 5858
db: ChemSpider

Adenosine monophosphate
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Adenosine monophosphate

Reference/ChemSpider 709
type: UnificationXref
id: 709
db: ChemSpider

Phosphate
type: SmallMoleculeReference
xref: Reference/KEGG Compound C00009
xref: Reference/PubChem-compound 1061
xref: Reference/CAS 14265-44-2
xref: Reference/HMDB HMDB0001429
xref: Reference/BioCyc CPD-8587
xref: Reference/ChEBI CHEBI 18367
xref: Reference/ChemSpider 1032
chemical formula: H3O4P
molecular weight: 97.9769
structure: ChemicalStructure/PW C001104

Clavaminic acid
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Clavaminic acid

Reference/ChemSpider 1010
type: UnificationXref
id: 1010
db: ChemSpider

Compound/PW C108717 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Proclavaminic acid
stoichiometric coefficient: 1.0

ChemicalStructure/PW C000200
type: ChemicalStructure
structure format: SMILES
structure data: NC(N)=O

Reference/BioCyc PPI
type: UnificationXref
id: PPI
db: BioCyc

NADPH
type: SmallMoleculeReference
xref: Reference/CAS 53-57-6
xref: Reference/HMDB HMDB0000221
xref: Reference/PubChem-compound 22833512
xref: Reference/BioCyc NADPH
xref: Reference/ChemSpider 17215925
xref: Reference/KEGG Compound C00005
xref: Reference/ChEBI CHEBI 16474
chemical formula: C21H30N7O17P3
molecular weight: 745.0911
structure: ChemicalStructure/PW C000146

NADP
type: SmallMoleculeReference
xref: Reference/KEGG Compound C00006
xref: Reference/CAS 53-59-8
xref: Reference/BioCyc NAD(P)
xref: Reference/HMDB HMDB0000217
xref: Reference/ChEBI CHEBI 18009
xref: Reference/PubChem-compound 5886
xref: Reference/ChemSpider 5675
chemical formula: C21H28N7O17P3
molecular weight: 743.07544
structure: ChemicalStructure/PW C000143

D-Glyceraldehyde 3-phosphate
type: SmallMoleculeReference
xref: Reference/BioCyc GAP
xref: Reference/ChEBI CHEBI 17138
xref: Reference/HMDB HMDB0001112
xref: Reference/ChemSpider 709
xref: Reference/KEGG Compound C00661
xref: Reference/PubChem-compound 729
xref: Reference/CAS 591-59-3
chemical formula: C3H7O6P
molecular weight: 169.99803
structure: ChemicalStructure/PW C000869

Reference/PubChem-compound 8884
type: UnificationXref
id: 8884
db: PubChem-compound

Reference/PubChem-compound 8883
type: UnificationXref
id: 8883
db: PubChem-compound

Reference/PubChem-compound 8882
type: UnificationXref
id: 8882
db: PubChem-compound

Reference/BioCyc NADPH
type: UnificationXref
id: NADPH
db: BioCyc

Reference/PubChem-compound 8881
type: UnificationXref
id: 8881
db: PubChem-compound

Compound/PW C040034 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Hydrogen Ion
stoichiometric coefficient: 1.0

Reference/PubChem-compound 8880
type: UnificationXref
id: 8880
db: PubChem-compound

Deoxyguanidinoproclavaminic acid
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Deoxyguanidinoproclavaminic acid

Reference/HMDB HMDB0000208
type: UnificationXref
id: HMDB0000208
db: HMDB

Reference/BioCyc CPD-6641
type: UnificationXref
id: CPD-6641
db: BioCyc

Reference/PubChem-compound 8887
type: UnificationXref
id: 8887
db: PubChem-compound

Reference/PubChem-compound 8886
type: UnificationXref
id: 8886
db: PubChem-compound

Reference/PubChem-compound 8885
type: UnificationXref
id: 8885
db: PubChem-compound

L-N2-(2-Carboxyethyl)arginine
type: SmallMolecule
cellular location: Cytoplasm
entity reference: L-N2-(2-Carboxyethyl)arginine

ChemicalStructure/PW C001104
type: ChemicalStructure
structure format: SMILES
structure data: OP(O)(O)=O

ChemicalStructure/PW C000134
type: ChemicalStructure
structure format: SMILES
structure data: OC(=O)CCC(=O)C(O)=O

Compound/PW C000146 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: NADPH
stoichiometric coefficient: 1.0

Reference/HMDB HMDB0000217
type: UnificationXref
id: HMDB0000217
db: HMDB

Reference/ChEBI CHEBI 30915
type: UnificationXref
id: CHEBI:30915
db: ChEBI

Reference/CAS 124-38-9
type: UnificationXref
id: 124-38-9
db: CAS

Reference/KEGG Compound C00009
type: UnificationXref
id: C00009
db: KEGG Compound

Clavulanic acid
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Clavulanic acid

Reference/KEGG Compound C00007
type: UnificationXref
id: C00007
db: KEGG Compound

ChemicalStructure/PW C108707
type: ChemicalStructure
structure format: SMILES
structure data: [H][C@@](CCCNC(N)=N)(NCCC(O)=O)C(O)=O

Reference/KEGG Compound C00006
type: UnificationXref
id: C00006
db: KEGG Compound

Reference/ChEBI CHEBI 18009
type: UnificationXref
id: CHEBI:18009
db: ChEBI

Guanidinoproclavaminic acid
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Guanidinoproclavaminic acid

Reference/HMDB HMDB0001429
type: UnificationXref
id: HMDB0001429
db: HMDB

Reference/KEGG Compound C00001
type: UnificationXref
id: C00001
db: KEGG Compound

Reference/ChEBI CHEBI 18361
type: UnificationXref
id: CHEBI:18361
db: ChEBI

Reference/KEGG Compound C00005
type: UnificationXref
id: C00005
db: KEGG Compound

Reference/ChEBI CHEBI 18367
type: UnificationXref
id: CHEBI:18367
db: ChEBI

Reference/ChemSpider 1032
type: UnificationXref
id: 1032
db: ChemSpider

Reference/KEGG Compound C00002
type: UnificationXref
id: C00002
db: KEGG Compound

NADP
type: SmallMolecule
cellular location: Cytoplasm
entity reference: NADP

ChemicalStructure/PW C000143
type: ChemicalStructure
structure format: SMILES

Reference/HMDB HMDB0000221
type: UnificationXref
id: HMDB0000221
db: HMDB

ChemicalStructure/PW C000146
type: ChemicalStructure
structure format: SMILES

ChemicalStructure/PW C108717
type: ChemicalStructure
structure format: SMILES

ChemicalStructure/PW C108716
type: ChemicalStructure
structure format: SMILES
structure data: OC(=O)CCC(O)=O

ChemicalStructure/PW C108715
type: ChemicalStructure
structure format: SMILES
structure data: NC(=N)NCC[C@@H](O)[C@H](N1CCC1=O)C(O)=O

ChemicalStructure/PW C108714
type: ChemicalStructure
structure format: SMILES
structure data: [H][C@@](CCCNC(N)=N)(N1CCC1=O)C(O)=O

Oxygen
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Oxygen

Reference/CAS 53-57-6
type: UnificationXref
id: 53-57-6
db: CAS

ChemicalStructure/PW C108719
type: ChemicalStructure
structure format: SMILES
structure data: NC\C=C1/O[C@H]2CC(=O)N2[C@@H]1C(O)=O

Reference/ChEBI CHEBI 15741
type: UnificationXref
id: CHEBI:15741
db: ChEBI

ChemicalStructure/PW C108718
type: ChemicalStructure
structure format: SMILES

Compound/PW C000170 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Pyrophosphate
stoichiometric coefficient: 1.0

Adenosine triphosphate
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Adenosine triphosphate

Reference/KEGG Compound C00011
type: UnificationXref
id: C00011
db: KEGG Compound

ChemicalStructure/PW C001316
type: ChemicalStructure
structure format: SMILES
structure data: O=C=O

Compound/PW C000134 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Oxoglutaric acid
stoichiometric coefficient: 1.0

Reference/KEGG Compound C00013
type: UnificationXref
id: C00013
db: KEGG Compound

Pyrophosphate
type: SmallMoleculeReference
xref: Reference/PubChem-compound 644102
xref: Reference/BioCyc PPI
xref: Reference/ChemSpider 559142
xref: Reference/ChEBI CHEBI 18361
xref: Reference/HMDB HMDB0000250
xref: Reference/CAS 14000-31-8
xref: Reference/KEGG Compound C00013
chemical formula: H4O7P2
molecular weight: 177.94322
structure: ChemicalStructure/PW C000170

ChemicalStructure/PW C108720
type: ChemicalStructure
structure format: SMILES
structure data: OC(=O)[C@@H]1N2[C@@H](CC2=O)O\C1=C/C=O

Reference/BioCyc NAD(P)
type: UnificationXref
id: NAD(P)
db: BioCyc

Reference/ChemSpider 6082
type: UnificationXref
id: 6082
db: ChemSpider

Compound/PW C001420 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Water
stoichiometric coefficient: 1.0

Reference/PubChem-compound 5957
type: UnificationXref
id: 5957
db: PubChem-compound

ChemicalStructure/PW C108721
type: ChemicalStructure
structure format: SMILES

Reference/ChEBI CHEBI 17138
type: UnificationXref
id: CHEBI:17138
db: ChEBI

Hydrogen Ion
type: SmallMoleculeReference
xref: Reference/KEGG Compound C00080
xref: Reference/ChEBI CHEBI 15378
xref: Reference/HMDB HMDB0059597
xref: Reference/PubChem-compound 1038
xref: Reference/ChemSpider 1010
chemical formula: H
molecular weight: 1.007825
structure: ChemicalStructure/PW C040034

Reference/CAS 56-65-5
type: UnificationXref
id: 56-65-5
db: CAS

Reference/KEGG Compound C00020
type: UnificationXref
id: C00020
db: KEGG Compound

Reference/KEGG Compound C00026
type: UnificationXref
id: C00026
db: KEGG Compound

Compound/PW C000869 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: D-Glyceraldehyde 3-phosphate
stoichiometric coefficient: 1.0

Reference/GENE ONTOLOGY GO 0005737
type: UnificationXref
id: GO:0005737
db: GENE ONTOLOGY

Compound/PW C108714 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Deoxyguanidinoproclavaminic acid
stoichiometric coefficient: 1.0

Reference/CAS 112240-59-2
type: UnificationXref
id: 112240-59-2
db: CAS

Reference/BioCyc CPD-8587
type: UnificationXref
id: CPD-8587
db: BioCyc

Compound/PW C108720 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Clavulanate-9-aldehyde
stoichiometric coefficient: 1.0

Clavaminate synthase 1
type: ProteinReference
xref: Reference/UniProt E2PWJ7
organism: Streptomyces clavuligerus

Reference/CAS 328-50-7
type: UnificationXref
id: 328-50-7
db: CAS

Proclavaminate amidinohydrolase
type: ProteinReference
xref: Reference/UniProt B5GLC8
organism: Streptomyces clavuligerus

Reference/BioCyc AMP
type: UnificationXref
id: AMP
db: BioCyc

Clavaminate synthase 1
type: Protein
cellular location: Cytoplasm
entity reference: Clavaminate synthase 1

Clavaldehyde dehydrogenase
type: ProteinReference
organism: Streptomyces clavuligerus

Uncharacterized protein
type: ProteinReference
xref: Reference/UniProt B5GLC6
organism: Streptomyces clavuligerus

Compound/PW C000396 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: L-Arginine
stoichiometric coefficient: 1.0

Compound/PW C001316 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Carbon dioxide
stoichiometric coefficient: 1.0

Compound/PW C001104 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Phosphate
stoichiometric coefficient: 1.0

Carboxyethyl-arginine beta-lactam-synthase
type: ProteinReference
xref: Reference/UniProt B5GLC7
organism: Streptomyces clavuligerus

Reference/HMDB HMDB0000250
type: UnificationXref
id: HMDB0000250
db: HMDB

ChemicalStructure/PW C000170
type: ChemicalStructure
structure format: SMILES
structure data: OP(O)(=O)OP(O)(O)=O

Reference/CAS 14000-31-8
type: UnificationXref
id: 14000-31-8
db: CAS

Urea
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Urea

Reference/ChemSpider 5675
type: UnificationXref
id: 5675
db: ChemSpider

Reference/HMDB HMDB0001112
type: UnificationXref
id: HMDB0001112
db: HMDB

Proclavaminate amidinohydrolase
type: Protein
cellular location: Cytoplasm
entity reference: Proclavaminate amidinohydrolase

Cytoplasm
type: CellularLocationVocabulary
xref: Reference/GENE ONTOLOGY GO 0005737

Urea
type: SmallMoleculeReference
xref: Reference/BioCyc UREA
xref: Reference/CAS 57-13-6
xref: Reference/KEGG Compound C00086
xref: Reference/HMDB HMDB0000294
xref: Reference/ChemSpider 1143
xref: Reference/PubChem-compound 1176
xref: Reference/ChEBI CHEBI 16199
chemical formula: CH4N2O
molecular weight: 60.032364
structure: ChemicalStructure/PW C000200

NADPH
type: SmallMolecule
cellular location: Cytoplasm
entity reference: NADPH

Reference/ChEBI CHEBI 15423
type: UnificationXref
id: CHEBI:15423
db: ChEBI

Streptomyces clavuligerus
type: BioSource
xref: Reference/TAXONOMY 1901

Reference/ChEBI CHEBI 15422
type: UnificationXref
id: CHEBI:15422
db: ChEBI

Reference/ChEBI CHEBI 15425
type: UnificationXref
id: CHEBI:15425
db: ChEBI

Reference/ChEBI CHEBI 15424
type: UnificationXref
id: CHEBI:15424
db: ChEBI

Reference/ChEBI CHEBI 15427
type: UnificationXref
id: CHEBI:15427
db: ChEBI

Compound/PW C108716 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Succinate
stoichiometric coefficient: 1.0

Reference/ChEBI CHEBI 15426
type: UnificationXref
id: CHEBI:15426
db: ChEBI

Reference/ChEBI CHEBI 48947
type: UnificationXref
id: CHEBI:48947
db: ChEBI

Carboxyethyl-arginine beta-lactam-synthase
type: Protein
cellular location: Cytoplasm
entity reference: Carboxyethyl-arginine beta-lactam-synthase

Reference/CAS 7732-18-5
type: UnificationXref
id: 7732-18-5
db: CAS

Clavulanate-9-aldehyde
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Clavulanate-9-aldehyde

Reference/CAS 591-59-3
type: UnificationXref
id: 591-59-3
db: CAS

Reference/ChEBI CHEBI 16199
type: UnificationXref
id: CHEBI:16199
db: ChEBI

ChemicalStructure/PW C000396
type: ChemicalStructure
structure format: SMILES
structure data: N[C@@H](CCCNC(N)=N)C(O)=O

Reference/CAS 61-19-8
type: UnificationXref
id: 61-19-8
db: CAS

ChemicalStructure/PW C000032
type: ChemicalStructure
structure format: SMILES

Hydrogen Ion
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Hydrogen Ion

Oxygen
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0001377
xref: Reference/ChemSpider 952
xref: Reference/KEGG Compound C00007
xref: Reference/ChEBI CHEBI 15379
xref: Reference/PubChem-compound 977
xref: Reference/BioCyc CPD-6641
xref: Reference/CAS 7782-44-7
chemical formula: O2
molecular weight: 31.98983
structure: ChemicalStructure/PW C001065

Reference/KEGG Compound C00062
type: UnificationXref
id: C00062
db: KEGG Compound

Reference/TAXONOMY 1901
type: UnificationXref
id: 1901
db: TAXONOMY

Reference/PubChem-compound 28782
type: UnificationXref
id: 28782
db: PubChem-compound

Clavaldehyde dehydrogenase
type: Protein
cellular location: Cytoplasm
entity reference: Clavaldehyde dehydrogenase

L-Arginine
type: SmallMolecule
cellular location: Cytoplasm
entity reference: L-Arginine

Adenosine triphosphate
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 15422
xref: Reference/PubChem-compound 5957
xref: Reference/HMDB HMDB0000538
xref: Reference/CAS 56-65-5
xref: Reference/ChemSpider 5742
xref: Reference/BioCyc ATP
xref: Reference/KEGG Compound C00002
chemical formula: C10H16N5O13P3
molecular weight: 506.99576
structure: ChemicalStructure/PW C000414

Reference/ChEBI CHEBI 16526
type: UnificationXref
id: CHEBI:16526
db: ChEBI

Pyrophosphate
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Pyrophosphate

Reference/CAS 7782-44-7
type: UnificationXref
id: 7782-44-7
db: CAS

Reference/HMDB HMDB0001377
type: UnificationXref
id: HMDB0001377
db: HMDB

Reference/HMDB HMDB0000045
type: UnificationXref
id: HMDB0000045
db: HMDB

Compound/PW C001065 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Oxygen
stoichiometric coefficient: 1.0

Reference/PubChem-compound 962
type: UnificationXref
id: 962
db: PubChem-compound

Reference/BioCyc 2-KETOGLUTARATE
type: UnificationXref
id: 2-KETOGLUTARATE
db: BioCyc

Compound/PW C108707 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: L-N2-(2-Carboxyethyl)arginine
stoichiometric coefficient: 1.0

Carbon dioxide
type: SmallMoleculeReference
xref: Reference/PubChem-compound 280
xref: Reference/ChEBI CHEBI 16526
xref: Reference/ChemSpider 274
xref: Reference/HMDB HMDB0001967
xref: Reference/CAS 124-38-9
xref: Reference/KEGG Compound C00011
chemical formula: CO2
molecular weight: 43.98983
structure: ChemicalStructure/PW C001316

Reference/UniProt B5GLC7
type: UnificationXref
id: B5GLC7
db: UniProt

ReactionCatalysis202153
type: Catalysis
controller: Clavaminate synthase 1
controlled: 1.14.11.21
control type: ACTIVATION

Reference/UniProt B5GLC8
type: UnificationXref
id: B5GLC8
db: UniProt

ReactionCatalysis202154
type: Catalysis
controller: Clavaldehyde dehydrogenase
controlled: Reaction212524
control type: ACTIVATION

Reference/PubChem-compound 1176
type: UnificationXref
id: 1176
db: PubChem-compound

Reference/UniProt B5GLC6
type: UnificationXref
id: B5GLC6
db: UniProt

ReactionCatalysis202150
type: Catalysis
controller: Clavaminate synthase 1
controlled: 1.14.11.21
control type: ACTIVATION

Reference/KEGG Compound C00080
type: UnificationXref
id: C00080
db: KEGG Compound

ChemicalStructure/PW C001065
type: ChemicalStructure
structure format: SMILES
structure data: O=O

Reference/CAS 110-15-6
type: UnificationXref
id: 110-15-6
db: CAS

ReactionCatalysis202151
type: Catalysis
controller: Proclavaminate amidinohydrolase
controlled: Reaction212520
control type: ACTIVATION

ReactionCatalysis202152
type: Catalysis
controller: Clavaminate synthase 1
controlled: 1.14.11.21
control type: ACTIVATION

Oxoglutaric acid
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Oxoglutaric acid

Reference/PubChem-compound 729
type: UnificationXref
id: 729
db: PubChem-compound

Reference/HMDB HMDB0002111
type: UnificationXref
id: HMDB0002111
db: HMDB

Reference/HMDB HMDB0000294
type: UnificationXref
id: HMDB0000294
db: HMDB

Compound/PW C000032 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Adenosine monophosphate
stoichiometric coefficient: 1.0

Reference/ChEBI CHEBI 15377
type: UnificationXref
id: CHEBI:15377
db: ChEBI

Reference/UniProt E2PWJ7
type: UnificationXref
id: E2PWJ7
db: UniProt

Reference/ChEBI CHEBI 15379
type: UnificationXref
id: CHEBI:15379
db: ChEBI

Reference/ChEBI CHEBI 16467
type: UnificationXref
id: CHEBI:16467
db: ChEBI

Reference/CAS 14265-44-2
type: UnificationXref
id: 14265-44-2
db: CAS

Reference/ChEBI CHEBI 15378
type: UnificationXref
id: CHEBI:15378
db: ChEBI

ChemicalStructure/PW C040034
type: ChemicalStructure
structure format: SMILES
structure data: [H+]

Compound/PW C108718 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Dihydroclavaminic acid
stoichiometric coefficient: 1.0

Uncharacterized protein
type: Protein
cellular location: Cytoplasm
entity reference: Uncharacterized protein

ChemicalStructure/PW C000414
type: ChemicalStructure
structure format: SMILES

Reference/PubChem-compound 5886
type: UnificationXref
id: 5886
db: PubChem-compound

Reference/KEGG Compound C00086
type: UnificationXref
id: C00086
db: KEGG Compound

Phosphate
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Phosphate

Compound/PW C000414 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Adenosine triphosphate
stoichiometric coefficient: 1.0

Reference/PubChem-compound 3344
type: UnificationXref
id: 3344
db: PubChem-compound

Reference/PubChem-compound 280
type: UnificationXref
id: 280
db: PubChem-compound

Reference/SMPDB SMP0122582
type: UnificationXref
id: SMP0122582
db: SMPDB

Reference/PubChem-compound 644102
type: UnificationXref
id: 644102
db: PubChem-compound

Reference/PubChem-compound 6083
type: UnificationXref
id: 6083
db: PubChem-compound

Reaction212517
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000869 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000396 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001104 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C108707 Cytoplasm/Stoichiometry/1.0
right: L-N2-(2-Carboxyethyl)arginine
right: Phosphate
spontaneous: false
left: D-Glyceraldehyde 3-phosphate
left: L-Arginine
name: D-Glyceraldehyde 3-phosphate + L-Arginine ↔ L-N2-(2-Carboxyethyl)arginine + Phosphate
conversion direction: REVERSIBLE

ChemicalStructure/PW C000869
type: ChemicalStructure
structure format: SMILES
structure data: OC(COP(O)(O)=O)C=O

Reference/PubChem-compound 22833512
type: UnificationXref
id: 22833512
db: PubChem-compound

Compound/PW C108719 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Clavaminic acid
stoichiometric coefficient: 1.0

Water
type: SmallMoleculeReference
xref: Reference/PubChem-compound 962
xref: Reference/ChEBI CHEBI 15377
xref: Reference/KEGG Compound C00001
xref: Reference/ChemSpider 937
xref: Reference/HMDB HMDB0002111
xref: Reference/CAS 7732-18-5
chemical formula: H2O
molecular weight: 18.010565
structure: ChemicalStructure/PW C001420

Reference/PathWhiz PW123893
type: UnificationXref
id: PW123893
db: PathWhiz

6.3.3.4
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000170 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C108714 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C108707 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000414 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000032 Cytoplasm/Stoichiometry/1.0
right: Adenosine monophosphate
right: Deoxyguanidinoproclavaminic acid
right: Pyrophosphate
spontaneous: false
EC number: 6.3.3.4
left: L-N2-(2-Carboxyethyl)arginine
left: Adenosine triphosphate
name: Adenosine triphosphate + L-N2-(2-Carboxyethyl)arginine ↔ Adenosine monophosphate + Deoxyguanidinoproclavaminic acid + Pyrophosphate
conversion direction: REVERSIBLE

1.14.11.21
type: BiochemicalReaction
participant stoichiometry: Compound/PW C001065 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C108716 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001316 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C108715 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C108714 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000134 Cytoplasm/Stoichiometry/1.0
right: Succinate
right: Carbon dioxide
right: Guanidinoproclavaminic acid
spontaneous: false
EC number: 1.14.11.21
left: Oxygen
left: Deoxyguanidinoproclavaminic acid
left: Oxoglutaric acid
name: Deoxyguanidinoproclavaminic acid + Oxoglutaric acid + Oxygen ↔ Carbon dioxide + Guanidinoproclavaminic acid + Succinate
conversion direction: REVERSIBLE

Compound/PW C108721 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Clavulanic acid
stoichiometric coefficient: 1.0

Reference/BioCyc GAP
type: UnificationXref
id: GAP
db: BioCyc

1.14.11.21
type: BiochemicalReaction
participant stoichiometry: Compound/PW C001065 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C108718 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C108717 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001316 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C108716 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001420 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000134 Cytoplasm/Stoichiometry/1.0
right: Succinate
right: Carbon dioxide
right: Water
right: Dihydroclavaminic acid
spontaneous: false
EC number: 1.14.11.21
left: Oxygen
left: Proclavaminic acid
left: Oxoglutaric acid
name: Oxoglutaric acid + Oxygen + Proclavaminic acid ↔ Carbon dioxide + Dihydroclavaminic acid + Succinate + Water
conversion direction: REVERSIBLE

L-N2-(2-Carboxyethyl)arginine
type: SmallMoleculeReference
xref: Reference/PubChem-compound 8880
xref: Reference/ChEBI CHEBI 15427
chemical formula: C9H18N4O4
molecular weight: 246.13281
structure: ChemicalStructure/PW C108707

Reference/PubChem-compound 1061
type: UnificationXref
id: 1061
db: PubChem-compound

1.14.11.21
type: BiochemicalReaction
participant stoichiometry: Compound/PW C108719 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C108718 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001065 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C108716 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001316 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001420 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000134 Cytoplasm/Stoichiometry/1.0
right: Succinate
right: Carbon dioxide
right: Water
right: Clavaminic acid
spontaneous: false
EC number: 1.14.11.21
left: Oxygen
left: Dihydroclavaminic acid
left: Oxoglutaric acid
name: Dihydroclavaminic acid + Oxoglutaric acid + Oxygen ↔ Carbon dioxide + Clavaminic acid + Succinate + Water
conversion direction: REVERSIBLE

Reaction212523
type: BiochemicalReaction
participant stoichiometry: Compound/PW C108719 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C108720 Cytoplasm/Stoichiometry/1.0
right: Clavulanate-9-aldehyde
spontaneous: false
left: Clavaminic acid
name: Clavaminic acid ↔ Clavulanate-9-aldehyde
conversion direction: REVERSIBLE

Reaction212524
type: BiochemicalReaction
participant stoichiometry: Compound/PW C040034 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000146 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000143 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C108720 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C108721 Cytoplasm/Stoichiometry/1.0
right: Clavulanic acid
right: NADP
spontaneous: false
left: Hydrogen Ion
left: Clavulanate-9-aldehyde
left: NADPH
name: Clavulanate-9-aldehyde + Hydrogen Ion + NADPH ↔ Clavulanic acid + NADP
conversion direction: REVERSIBLE

Reference/PubChem-compound 977
type: UnificationXref
id: 977
db: PubChem-compound

Reference/CAS 74-79-3
type: UnificationXref
id: 74-79-3
db: CAS

Reference/HMDB HMDB0059597
type: UnificationXref
id: HMDB0059597
db: HMDB

Reference/KEGG Compound C00661
type: UnificationXref
id: C00661
db: KEGG Compound

Reference/HMDB HMDB0001967
type: UnificationXref
id: HMDB0001967
db: HMDB

ReactionCatalysis202148
type: Catalysis
controller: Uncharacterized protein
controlled: Reaction212517
control type: ACTIVATION

Reference/HMDB HMDB0000517
type: UnificationXref
id: HMDB0000517
db: HMDB

ReactionCatalysis202149
type: Catalysis
controller: Carboxyethyl-arginine beta-lactam-synthase
controlled: 6.3.3.4
control type: ACTIVATION

Reaction212520
type: BiochemicalReaction
participant stoichiometry: Compound/PW C108717 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001420 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C108715 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000200 Cytoplasm/Stoichiometry/1.0
right: Proclavaminic acid
right: Urea
spontaneous: false
left: Water
left: Guanidinoproclavaminic acid
name: Guanidinoproclavaminic acid + Water ↔ Proclavaminic acid + Urea
conversion direction: REVERSIBLE

Deoxyguanidinoproclavaminic acid
type: SmallMoleculeReference
xref: Reference/PubChem-compound 8881
xref: Reference/ChEBI CHEBI 15426
chemical formula: C9H16N4O3
molecular weight: 228.12224
structure: ChemicalStructure/PW C108714

Guanidinoproclavaminic acid
type: SmallMoleculeReference
xref: Reference/PubChem-compound 8882
xref: Reference/ChEBI CHEBI 32963
chemical formula: C9H16N4O4
molecular weight: 244.11716
structure: ChemicalStructure/PW C108715

Succinate
type: SmallMoleculeReference
xref: Reference/CAS 110-15-6
xref: Reference/ChEBI CHEBI 15741
xref: Reference/PubChem-compound 3344
chemical formula: C4H6O4
molecular weight: 118.02661
structure: ChemicalStructure/PW C108716