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CHEBI:86201 - 1-[(9Z)-octadecenoyl]-2-[(7Z,10Z,13Z,16Z)-docosatetraenoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86201
ChEBI Name1-[(9Z)-octadecenoyl]-2-[(7Z,10Z,13Z,16Z)-docosatetraenoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-[(9Z)-octadecenoyl]-2-[(7Z,10Z,13Z,16Z)-docosatetraenoyl]-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 40:5 in which the acyl groups specified at positions 1 and 2 are (9Z)-octadecenoyl and (7Z,10Z,13Z,16Z)-docosatetraenoyl respectively.
Last Modified13 July 2015
Submitternamrata
DownloadsMolfile
FormulaC48H86NO8P
Net Charge0
Average Mass836.189
Monoisotopic Mass835.60911
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20-22,24-26,29,31,46H,6-13,15,17-19,23,27-28,30,32-45H2,1-5H3/b16-14-,22-20-,25-24-,26-21-,31-29-/t46-/m1/s1
InChIKeyRNPXVUWNKQBTRY-UXAWILDOSA-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)-octadecenoyl]-2-[(7Z,10Z,13Z,16Z)-docosatetraenoyl]-sn-glycero-3-phosphocholine (CHEBI:86201) has functional parent all-cis-docosa-7,10,13,16-tetraenoic acid (CHEBI:53487)
1-[(9Z)-octadecenoyl]-2-[(7Z,10Z,13Z,16Z)-docosatetraenoyl]-sn-glycero-3-phosphocholine (CHEBI:86201) has functional parent oleic acid (CHEBI:16196)
1-[(9Z)-octadecenoyl]-2-[(7Z,10Z,13Z,16Z)-docosatetraenoyl]-sn-glycero-3-phosphocholine (CHEBI:86201) is a phosphatidylcholine 40:5 (CHEBI:64524)
IUPAC Name 
(2R)-2-{[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxy}-3-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
PC(18:1n9/22:4n6)HMDB
GPCho(18:1w9/22:4w6)HMDB
Phosphatidylcholine(18:1n9/22:4n6)HMDB
GPCho(18:1n9/22:4n6)HMDB
1-Oleoyl-2-adrenoyl-sn-glycero-3-phosphocholineHMDB
PC(18:1w9/22:4w6)HMDB
Manual XrefsDatabases
HMDB0008120HMDB
LMGP01011613LIPID MAPS