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CHEBI:187082 - PKDdiA-PC

ChEBI IDCHEBI:187082
ChEBI NamePKDdiA-PC
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H66NO11P
Net Charge0
Average Mass719.894
Monoisotopic Mass719.43735
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC(=O)/C=C/C(=O)O
InChIInChI=1S/C36H66NO11P/c1-5-6-7-8-9-10-11-12-13-14-15-18-21-24-35(41)45-30-33(31-47-49(43,44)46-29-28-37(2,3)4)48-36(42)25-22-19-16-17-20-23-32(38)26-27-34(39)40/h26-27,33H,5-25,28-31H2,1-4H3,(H-,39,40,43,44)/b27-26+/t33-/m1/s1
InChIKeyXWKBYMQTSGGZLW-PHSKOSPPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
PKDdiA-PC (CHEBI:187082) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
[(2R)-2-[(E)-11-carboxy-9-oxoundec-10-enoyl]oxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
29341711ChemSpider
LMGP20010017LIPID MAPS