EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:86410 - 1-decanoyl-2-oleoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86410
ChEBI Name1-decanoyl-2-oleoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-decanoyl-2-oleoyl-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 28:1 in which the acyl groups specified at positions 1 and 2 are decanoyl and (9Z-octadecenoyl respectively.
Last Modified3 September 2015
Submitternamrata
DownloadsMolfile
FormulaC36H70NO8P
Net Charge0
Average Mass675.929
Monoisotopic Mass675.48390
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C36H70NO8P/c1-6-8-10-12-14-15-16-17-18-19-20-21-23-25-27-29-36(39)45-34(33-44-46(40,41)43-31-30-37(3,4)5)32-42-35(38)28-26-24-22-13-11-9-7-2/h17-18,34H,6-16,19-33H2,1-5H3/b18-17-/t34-/m1/s1
InChIKeyLHGRLARXULFYPW-RZCWWDNZSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
1-decanoyl-2-oleoyl-sn-glycero-3-phosphocholine (CHEBI:86410) has functional parent oleic acid (CHEBI:16196)
1-decanoyl-2-oleoyl-sn-glycero-3-phosphocholine (CHEBI:86410) is a decanoate ester (CHEBI:87658)
1-decanoyl-2-oleoyl-sn-glycero-3-phosphocholine (CHEBI:86410) is a phosphatidylcholine 28:1 (CHEBI:65293)
IUPAC Name 
(2R)-3-(decanoyloxy)-2-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
PC(10:0/18:1(9Z))LIPID MAPS
1-decanoyl-2-[(9Z)-octadecenoy]-sn-glycero-3-phosphocholineChEBI
Manual XrefsDatabases
LMGP01010392LIPID MAPS