SMILES
CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(O)COP(O)(O)=O
937
ChemSpider
SubPathwayInteraction69789
SubPathwayReaction
SubPathway69789Reaction
439162
PubChem-compound
HMDB0055486
HMDB
NADH
HMDB0006519
HMDB
C43H68N7O17P3S
Clupanodonoyl-CoA
1079.3605
439153
PubChem-compound
SMILES
O
1.0
1.0
9913
TAXONOMY
1.0
Reaction128541
false
Clupanodonoyl-CoA + DG(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/0:0) → Coenzyme A + TG(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
LEFT_TO_RIGHT
NAD
C00681
KEGG Compound
SMILES
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N
Dihydroxyacetone phosphate
6816
PubChem-compound
C3H7O6P
Dihydroxyacetone phosphate
169.99803
SMP0076163
SMPDB
CHEBI:15846
ChEBI
52922033
PubChem-compound
1.0
PW088241
PathWhiz
C39H62N7O17P3S
Stearidonoyl-CoA
1025.3136
1038
PubChem-compound
Reaction128537
false
Adrenoyl-CoA + LPA(18:4(6Z,9Z,12Z,15Z)/0:0) → Coenzyme A + PA(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))
LEFT_TO_RIGHT
Reaction128538
false
PA(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)) + Water → DG(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/0:0) + Phosphate
LEFT_TO_RIGHT
Clupanodonoyl-CoA
GO:0005829
GENE ONTOLOGY
C43H68O5
DG(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/0:0)
664.50665
CHEBI:16908
ChEBI
Glycolysis
SubPathway
TG(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
O4P
Phosphate
94.95342
1010
ChemSpider
SMILES
CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCS
1.0
ACYL-SN-GLYCEROL-3P
BioCyc
Transport4008
false
LPA(18:4(6Z,9Z,12Z,15Z)/0:0) (→) Transport: Bos taurus, Cell, Mitochondrial Outer Membrane to Bos taurus, Cell, Endoplasmic Reticulum Membrane
LEFT_TO_RIGHT
CHEBI:16975
ChEBI
Hydrogen Ion
C00111
KEGG Compound
C65H100O6
TG(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
976.752
Cytosol
SMILES
CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)SCCNC(=O)CCNC(=O)[C@@](O)([H])C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](C(O)[C@H]1OP(=O)(O)O)N1C=NC2=C1N=CN=C2N
58-68-4
CAS
SMILES
[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC
HMDB0001423
HMDB
SMILES
[O-]P([O-])([O-])=O
HMDB0114745
HMDB
C00009
KEGG Compound
56928012
PubChem-compound
58346-00-2
CAS
C00001
KEGG Compound
HMDB0001429
HMDB
C00004
KEGG Compound
CHEBI:18367
ChEBI
C00003
KEGG Compound
1032
ChemSpider
LPA(18:4(6Z,9Z,12Z,15Z)/0:0)
C3H9O6P
Glycerol 3-phosphate
172.01367
HMDB0115048
HMDB
57-04-5
CAS
Glycerol 3-phosphate
1.0
C16166
KEGG Compound
1.0
C21H28N7O14P2
NAD
664.11694
C16163
KEGG Compound
C00010
KEGG Compound
HMDB0000902
HMDB
53478179
PubChem-compound
1.0
L-PHOSPHATIDATE
BioCyc
C21H29N7O14P2
NADH
665.12476
CHEBI:15978
ChEBI
GO:0005741
GENE ONTOLOGY
H
Hydrogen Ion
1.007825
SMILES
[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(O)=O)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC
SMP0087222
SMPDB
388308
ChemSpider
53-84-9
CAS
C16170
KEGG Compound
HMDB0000126
HMDB
Mitochondrial Outer Membrane
DIACYLGLYCEROL
BioCyc
1.0
Lipin 1
Dihydroxyacetone phosphate acyltransferase
1-acyl-sn-glycerol-3-phosphate acyltransferase alpha
Diacylglycerol O-acyltransferase 1
Endoplasmic Reticulum Membrane
Glycerol-3-phosphate dehydrogenase [NAD(+)], cytoplasmic
A4IF87
UniProt
SMILES
NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O
CPD-8587
BioCyc
Reaction122614
false
Dihydroxyacetone phosphate + Hydrogen Ion + NADH → Glycerol 3-phosphate + NAD
LEFT_TO_RIGHT
5682
ChemSpider
SMILES
NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O
Dihydroxyacetone phosphate
SubPathwayOutput
CHEBI:1146900
ChEBI
Water
C43H69O8P
PA(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))
744.473
CO-A
BioCyc
LPA(18:4(6Z,9Z,12Z,15Z)/0:0)
C00165
KEGG Compound
648
ChemSpider
24766087
ChemSpider
Coenzyme A
C21H36N7O16P3S
Coenzyme A
767.11523
Bos taurus
Glycerol-3-phosphate dehydrogenase [NAD(+)], cytoplasmic
56927910
PubChem-compound
HMDB0001473
HMDB
CHEBI:63541
ChEBI
6557
ChemSpider
668
PubChem-compound
388299
ChemSpider
7732-18-5
CAS
Adrenoyl-CoA
Q8MK44
UniProt
HMDB0001487
HMDB
1.0
C43H70N7O17P3S
Adrenoyl-CoA
1081.3762
GO:0005789
GENE ONTOLOGY
SMILES
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N
E1BPE8
UniProt
HMDB0007350
HMDB
DIHYDROXY-ACETONE-PHOSPHATE
BioCyc
1.0
LPA(18:4(6Z,9Z,12Z,15Z)/0:0)
1.0
C21H35O7P
LPA(18:4(6Z,9Z,12Z,15Z)/0:0)
430.21204
SMILES
OCC(=O)COP(O)(O)=O
HMDB0006267
HMDB
CHEBI:63545
ChEBI
CHEBI:63544
ChEBI
962
PubChem-compound
PA(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))
CHEBI:16337
ChEBI
Q95JH2
UniProt
Phosphate
5893
PubChem-compound
1.0
ReactionCatalysis112754
ACTIVATION
C00080
KEGG Compound
DG(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/0:0)
De Novo Triacylglycerol Biosynthesis TG(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Reaction128362
false
Glycerol 3-phosphate + Stearidonoyl-CoA → Coenzyme A + LPA(18:4(6Z,9Z,12Z,15Z)/0:0)
LEFT_TO_RIGHT
HMDB0002111
HMDB
PW077179
PathWhiz
Glycerol-3-phosphate dehydrogenase [NAD(+)], cytoplasmic
CHEBI:15377
ChEBI
CHEBI:15378
ChEBI
SMILES
[H+]
14265-44-2
CAS
1.0
CHEBI:16108
ChEBI
17989-41-2
CAS
Stearidonoyl-CoA
1.0
GLYCEROL-3P
BioCyc
C00093
KEGG Compound
Dihydroxyacetone phosphate acyltransferase
Lipin 1
Diacylglycerol O-acyltransferase 1
1-acyl-sn-glycerol-3-phosphate acyltransferase alpha
C00416
KEGG Compound
ReactionCatalysis112777
ACTIVATION
SMILES
[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC
ReactionCatalysis112778
ACTIVATION
ReactionCatalysis112775
ACTIVATION
ReactionCatalysis112776
ACTIVATION
H2O
Water
18.010565
NADH
BioCyc
NAD
BioCyc
HMDB0060203
HMDB
1061
PubChem-compound
Q5EA88
UniProt
HMDB0059597
HMDB
1.0
1.0
2.0
85-61-0
CAS
SMILES
OC[C@@H](O)COP(O)(O)=O