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CHEBI:170465 - PC(P-18:1(9Z)/P-16:0)

ChEBI IDCHEBI:170465
ChEBI NamePC(P-18:1(9Z)/P-16:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H82NO6P
Net Charge0
Average Mass728.093
Monoisotopic Mass727.58798
SMILESCCCCCCCC/C=C\CCCCCC/C=C\OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O/C=C\CCCCCCCCCCCCCC
InChIInChI=1S/C42H82NO6P/c1-6-8-10-12-14-16-18-20-22-23-24-26-28-30-32-34-37-46-40-42(41-49-50(44,45)48-39-36-43(3,4)5)47-38-35-33-31-29-27-25-21-19-17-15-13-11-9-7-2/h20,22,34-35,37-38,42H,6-19,21,23-33,36,39-41H2,1-5H3/b22-20-,37-34-,38-35-/t42-/m1/s1
InChIKeyDKCXAWVKSPBFRB-BCZCSWKFSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
PC(P-18:1(9Z)/P-16:0) (CHEBI:170465) is a glycerophosphocholine (CHEBI:36313)
IUPAC Name 
[(2R)-2-[(Z)-hexadec-1-enoxy]-3-[(1Z,9Z)-octadeca-1,9-dienoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
HMDB0011331HMDB
24767606ChemSpider