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CHEBI:191355 - 22:2-18:3-PC

Default Structure
ChEBI IDCHEBI:191355
ChEBI Name22:2-18:3-PC
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H86NO8P
Net Charge0
Average Mass836.189
Monoisotopic Mass835.60911
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(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/h9,11,14-17,20-22,26,46H,6-8,10,12-13,18-19,23-25,27-45H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,26-21-/t46-/m1/s1
InChIKeyMNLODOXUTCKZPS-KCLVDFFQSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) hTERT-RPE1 cell (BTO:0004790) MetaboLights (MTBLS682)
ChEBI Ontology
Outgoing Relation(s)
22:2-18:3-PC (CHEBI:191355) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
[(2R)-3-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
24767261ChemSpider
HMDB0008600HMDB
LMGP01012050LIPID MAPS