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CHEBI:186540 - PC(23:1(9Z)/23:1(9Z))

Default Structure
ChEBI IDCHEBI:186540
ChEBI NamePC(23:1(9Z)/23:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H104NO8P
Net Charge0
Average Mass926.399
Monoisotopic Mass925.74996
SMILESCCCCCCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCCCCCCC
InChIInChI=1S/C54H104NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-53(56)60-50-52(51-62-64(58,59)61-49-48-55(3,4)5)63-54(57)47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30-33,52H,6-29,34-51H2,1-5H3/b32-30-,33-31-/t52-/m1/s1
InChIKeyFBOGNPYUFRBIPX-QGXNMIOQSA-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(23:1(9Z)/23:1(9Z)) (CHEBI:186540) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
[(2R)-2,3-bis[[(Z)-tricos-9-enoyl]oxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
24822723ChemSpider
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