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CHEBI:142701 - PC(20:0/18:2(9Z,12Z))

ChEBI IDCHEBI:142701
ChEBI NamePC(20:0/18:2(9Z,12Z))
Stars
DefinitionA phosphatidylcholine 38:2 which carries an icosanoyl group at position 1 and a (6Z,9Z)-18-oxooctadeca-6,9-dien-18-yl group at position 2.
Last Modified4 December 2018
Submitterjanelomax
DownloadsMolfile
FormulaC46H88NO8P
Net Charge0
Average Mass814.183
Monoisotopic Mass813.62476
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C46H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h15,17,21,24,44H,6-14,16,18-20,22-23,25-43H2,1-5H3/b17-15-,24-21-/t44-/m1/s1
InChIKeyKXXLFCAPKGRXBT-FMJYHZMHSA-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)
PC(20:0/18:2(9Z,12Z)) (CHEBI:142701) is a phosphatidylcholine 38:2 (CHEBI:66859)
IUPAC Name 
(2R)-3-(icosanoyloxy)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
Synonyms  Source
PC(20:0/18:2(9Z,12Z))SUBMITTER
phosphatidylcholine(20:0/18:2(9Z,12Z))ChEBI
1-icosanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholineChEBI
1-eicosanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholineMetaCyc
Manual XrefsDatabases
LMGP01011296LIPID MAPS
HMDB0008270HMDB
CPD-8371MetaCyc