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CHEBI:187699 - PC(2:0/18:1(9Z))

ChEBI IDCHEBI:187699
ChEBI NamePC(2:0/18:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H54NO8P
Net Charge0
Average Mass563.713
Monoisotopic Mass563.35870
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(C)=O)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C28H54NO8P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28(31)37-27(24-34-26(2)30)25-36-38(32,33)35-23-22-29(3,4)5/h13-14,27H,6-12,15-25H2,1-5H3/b14-13-/t27-/m1/s1
InChIKeyQXMOMRCLDDYEGS-ZYRNGQCSSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
PC(2:0/18:1(9Z)) (CHEBI:187699) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
[(2R)-3-acetyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
24822617ChemSpider
LMGP01010991LIPID MAPS