Triacylglycerols
BioCyc
SMILES
CCCCCCCCCCCCCCCCCCC(=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
DIACYLGLYCEROL
BioCyc
1.0
SMILES
CCC(C)CCCCCCCCCCCCCCCCCCCCC(=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
937
ChemSpider
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
TG(a-25:0/19:0/20:0)
439162
PubChem-compound
1.0
17220830
ChemSpider
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
Glycerol-3-phosphate acyltransferase 1, mitochondrial
Eicosanoyl-CoA
Dihydroxyacetone phosphate
SubPathwayOutput
Glycerol-3-phosphate dehydrogenase [NAD(+)], cytoplasmic
NADH
CHEBI:1146900
ChEBI
Water
P21695
UniProt
1.0
439153
PubChem-compound
SMILES
CCCCCCCCCCCCCCCCCCCC(=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
SMILES
O
HMDB0112241
HMDB
HMDB0115753
HMDB
Reaction83394
false
LPA(a-25:0/0:0) + Nonadecanoyl-CoA → Coenzyme A + PA(a-25:0/19:0)
LEFT_TO_RIGHT
Reaction83395
false
PA(a-25:0/19:0) + Water → DG(a-25:0/19:0/0:0) + Phosphate
LEFT_TO_RIGHT
1.0
16061151
PubChem-compound
LPA(a-25:0/0:0)
Reaction83145
false
Anteisopentacosanoyl-CoA + Glycerol 3-phosphate → Coenzyme A + LPA(a-25:0/0:0)
LEFT_TO_RIGHT
CO-A
BioCyc
NAD
C00165
KEGG Compound
C00681
KEGG Compound
648
ChemSpider
Coenzyme A
Dihydroxyacetone phosphate
Phosphatidate phosphatase LPIN1
C21H36N7O16P3S
Coenzyme A
767.11523
1.0
6816
PubChem-compound
C3H7O6P
Dihydroxyacetone phosphate
169.99803
Glycolysis
SubPathway
PW039880
PathWhiz
Reaction55814
false
Dihydroxyacetone phosphate + Hydrogen Ion + NADH → Glycerol 3-phosphate + NAD
LEFT_TO_RIGHT
CHEBI:15846
ChEBI
C47H93O8P
PA(a-25:0/19:0)
816.6608
Diacylglycerol O-acyltransferase 1
HMDB0001473
HMDB
6557
ChemSpider
668
PubChem-compound
Homo sapiens
HMDB0094622
HMDB
HMDB0070734
HMDB
1038
PubChem-compound
388299
ChemSpider
7732-18-5
CAS
ICOSANOYL-COA
BioCyc
HMDB0001487
HMDB
GO:0005829
GENE ONTOLOGY
1.0
1.0
HMDB0114762
HMDB
CHEBI:16908
ChEBI
Reaction83405
false
DG(a-25:0/19:0/0:0) + Eicosanoyl-CoA → Coenzyme A + TG(a-25:0/19:0/20:0)
LEFT_TO_RIGHT
Nonadecanoyl-CoA
DIHYDROXY-ACETONE-PHOSPHATE
BioCyc
1.0
Anteisopentacosanoyl-CoA
1-Acyl-sn-glycerol-3-phosphate acyltransferase alpha
O4P
Phosphate
94.95342
SMP0038976
SMPDB
1.0
SMILES
[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC
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
CPD-18573
BioCyc
SMILES
OCC(=O)COP(O)(O)=O
C46H84N7O17P3S
Anteisopentacosanoyl-CoA
1131.4857
O75907
UniProt
ACYL-SN-GLYCEROL-3P
BioCyc
C40H72N7O17P3S
Nonadecanoyl-CoA
1047.3918
SMILES
CCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(O)(O)=O
9606
TAXONOMY
962
PubChem-compound
C28H57O7P
LPA(a-25:0/0:0)
536.3842
ReactionCatalysis45943
ACTIVATION
CHEBI:16975
ChEBI
CHEBI:16337
ChEBI
Hydrogen Ion
ReactionCatalysis45941
ACTIVATION
ReactionCatalysis45942
ACTIVATION
PW000146
PathWhiz
C00111
KEGG Compound
Cytosol
2.0
Phosphate
5893
PubChem-compound
1.0
58-68-4
CAS
C00080
KEGG Compound
Glycerol-3-phosphate acyltransferase 1, mitochondrial
SMP0000040
SMPDB
HMDB0001423
HMDB
HMDB0004258
HMDB
SMILES
[O-]P([O-])([O-])=O
Glycerol-3-phosphate dehydrogenase [NAD(+)], cytoplasmic
HMDB0002111
HMDB
CHEBI:15377
ChEBI
C00009
KEGG Compound
CHEBI:15378
ChEBI
SMILES
[H+]
SMILES
[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC
14265-44-2
CAS
PA(a-25:0/19:0)
CHEBI:16108
ChEBI
17989-41-2
CAS
Q14693
UniProt
C00001
KEGG Compound
HMDB0001429
HMDB
C67H130O6
TG(a-25:0/19:0/20:0)
1030.9867
Diacylglycerol O-acyltransferase 1
C00004
KEGG Compound
CHEBI:18367
ChEBI
C00003
KEGG Compound
1032
ChemSpider
Q9HCL2
UniProt
Phosphatidate phosphatase LPIN1
C3H9O6P
Glycerol 3-phosphate
172.01367
1.0
GLYCEROL-3P
BioCyc
Q99943
UniProt
C00093
KEGG Compound
CHEBI:15527
ChEBI
1.0
57-04-5
CAS
Glycerol 3-phosphate
C00416
KEGG Compound
C21H28N7O14P2
NAD
664.11694
SMILES
[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COP(O)(O)=O)OC(=O)CCCCCCCCCCCCCCCCCC
DG(a-25:0/19:0/0:0)
1.0
C00010
KEGG Compound
1.0
HMDB0000902
HMDB
1-Acyl-sn-glycerol-3-phosphate acyltransferase alpha
L-PHOSPHATIDATE
BioCyc
C02041
KEGG Compound
Glycerol-3-phosphate dehydrogenase [NAD(+)], cytoplasmic
CHEBI:75332
ChEBI
C41H74N7O17P3S
Eicosanoyl-CoA
1061.4075
C21H29N7O14P2
NADH
665.12476
H2O
Water
18.010565
HMDB0062509
HMDB
CHEBI:15978
ChEBI
NADH
BioCyc
C47H92O5
DG(a-25:0/19:0/0:0)
736.69446
NAD
BioCyc
H
Hydrogen Ion
1.007825
1061
PubChem-compound
HMDB0059597
HMDB
388308
ChemSpider
SubPathwayInteraction31240
SubPathwayReaction
SubPathway31240Reaction
1.0
15895-27-9
CAS
53-84-9
CAS
71728422
PubChem-compound
De Novo Triacylglycerol Biosynthesis TG(a-25:0/19:0/20:0)
C00422
KEGG Compound
ReactionCatalysis45939
ACTIVATION
HMDB0000126
HMDB
ReactionCatalysis45940
ACTIVATION
85-61-0
CAS
SMILES
OC[C@@H](O)COP(O)(O)=O