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CHEBI:74479 - 1-(9Z)-hexadecenoyl-2-(13Z,16Z)-docosadienoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:74479
ChEBI Name1-(9Z)-hexadecenoyl-2-(13Z,16Z)-docosadienoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-(9Z)-hexadecenoyl-2-(13Z,16Z)-docosadienoyl-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine in which the acyl groups at C-1 and C-2 are (9Z)-hexadecenoyl and (13Z,16Z)-docosadienoyl respectively.
Last Modified23 October 2015
Submittermwilliams
DownloadsMolfile
FormulaC46H86NO8P
Net Charge0
Average Mass812.167
Monoisotopic Mass811.60911
SMILES[H][C@@](COC(=O)CCCCCCC/C=C\CCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C46H86NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h14,16-17,19-21,44H,6-13,15,18,22-43H2,1-5H3/b16-14-,19-17-,21-20-/t44-/m1/s1
InChIKeyIHEXWEKEFCKFEL-UTIGHQPQSA-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-(9Z)-hexadecenoyl-2-(13Z,16Z)-docosadienoyl-sn-glycero-3-phosphocholine (CHEBI:74479) is a phosphatidylcholine 38:3 (CHEBI:64446)
IUPAC Name 
(2R)-2-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-[(9Z)-hexadec-9-enoyloxy]propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
PC(16:1/22:2)HMDB
PC(16:1(9Z)/22:2(13Z,16Z))ChEBI
GPCho(16:1/22:2)HMDB
GPCho(16:1(9Z)/22:2(13Z,16Z))ChEBI
phosphatidylcholine(16:1(9Z)/22:2(13Z,16Z))ChEBI
1-(9Z-hexadecenoyl)-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphocholineLIPID MAPS
Manual XrefsDatabases
LMGP01011496LIPID MAPS
HMDB0008020HMDB