CHEBI:34081 - 1-hexadecanoyl-2-[(Z)-octadec-9-enoyl]-sn-glycero-3-phospho-sn-glycerol 3-phosphate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-hexadecanoyl-2-[(Z)-octadec-9-enoyl]-sn-glycero-3-phospho-sn-glycerol 3-phosphate
ChEBI ID CHEBI:34081
ChEBI ASCII Name 1-hexadecanoyl-2-[(Z)-octadec-9-enoyl]-sn-glycero-3-phospho-sn-glycerol 3-phosphate
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C40H78O13P2
Net Charge 0
Average Mass 828.989
Monoisotopic Mass 828.49177
InChI InChI=1S/C40H78O13P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(43)53-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)35-49-39(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37-38,41H,3-16,19-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b18-17-
InChIKey BKRKPWQBIFVASS-ZCXUNETKSA-N
SMILES CCCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(O)COP(O)(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
(via phosphatidic acid )
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ChEBI Ontology
Outgoing 1-hexadecanoyl-2-[(Z)-octadec-9-enoyl]-sn-glycero-3-phospho-sn-glycerol 3-phosphate (CHEBI:34081) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
Synonym Source
1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3'-phosphate KEGG COMPOUND
Manual Xref Database
C13885 KEGG COMPOUND
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Last Modified
28 July 2014