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CHEBI:86123 - 1-[(6Z,9Z,12Z)-octadecatrienoyl]-2-[(9Z)-octadecenoyl]-snglycero-3-phosphocholine

Default Structure
ChEBI IDCHEBI:86123
ChEBI Name1-[(6Z,9Z,12Z)-octadecatrienoyl]-2-[(9Z)-octadecenoyl]-snglycero-3-phosphocholine
Stars
ASCII Name1-[(6Z,9Z,12Z)-octadecatrienoyl]-2-[(9Z)-octadecenoyl]-snglycero-3-phosphocholine
DefinitionA phosphatidylcholine 36:4 in which the acyl groups specified at positions 1 and 2 are (6Z,9Z,12Z)-octadecatrienoyl and (9Z)-octadecenoyl respectively.
Last Modified23 October 2015
Submitternamrata
DownloadsMolfile
FormulaC44H80NO8P
Net Charge0
Average Mass782.097
Monoisotopic Mass781.56216
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,26,28,42H,6-13,15,17-19,24-25,27,29-41H2,1-5H3/b16-14-,22-20-,23-21-,28-26-/t42-/m1/s1
InChIKeyNKQPOVROGSWLTO-NVPMBMBWSA-N
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1-[(6Z,9Z,12Z)-octadecatrienoyl]-2-[(9Z)-octadecenoyl]-snglycero-3-phosphocholine (CHEBI:86123) has functional parent oleic acid (CHEBI:16196)
1-[(6Z,9Z,12Z)-octadecatrienoyl]-2-[(9Z)-octadecenoyl]-snglycero-3-phosphocholine (CHEBI:86123) has functional parent γ-linolenic acid (CHEBI:28661)
1-[(6Z,9Z,12Z)-octadecatrienoyl]-2-[(9Z)-octadecenoyl]-snglycero-3-phosphocholine (CHEBI:86123) is a phosphatidylcholine 36:4 (CHEBI:64520)
IUPAC Name 
(2R)-3-{[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
1-gamma-Linolenoyl-2-oleoyl-sn-glycero-3-phosphocholineHMDB
GPCho(18:3/18:1)HMDB
GPCho(18:3n6/18:1n9)HMDB
GPCho(18:3w6/18:1w9)HMDB
PC(18:3/18:1)HMDB
PC(18:3(6Z,9Z,12Z)/18:1(9Z))LIPID MAPS
Manual XrefsDatabases
HMDB0008170HMDB
LMGP01011652LIPID MAPS