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CHEBI:191356 - 22:1-18:3-PC

ChEBI IDCHEBI:191356
ChEBI Name22:1-18:3-PC
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H88NO8P
Net Charge0
Average Mass838.205
Monoisotopic Mass837.62476
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C48H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-22,26,46H,6-8,10,12-14,16,18-19,23-25,27-45H2,1-5H3/b11-9-,17-15-,22-20-,26-21-/t46-/m1/s1
InChIKeyFHUAYOMRHXZKHT-JUGJLYODSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) hTERT-RPE1 cell (BTO:0004790) MetaboLights (MTBLS682)
ChEBI Ontology
Outgoing Relation(s)
22:1-18:3-PC (CHEBI:191356) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
[(2R)-3-[(Z)-docos-13-enoyl]oxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
LMGP01012224LIPID MAPS
HMDB0008567HMDB
24767228ChemSpider