EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:185378 - OKODiA-PC

ChEBI IDCHEBI:185378
ChEBI NameOKODiA-PC
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H60NO11P
Net Charge0
Average Mass689.824
Monoisotopic Mass689.39040
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC(=O)/C=C/C(=O)O
InChIInChI=1S/C34H60NO11P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-33(39)43-28-31(29-45-47(41,42)44-27-26-35(2,3)4)46-34(40)23-20-21-30(36)24-25-32(37)38/h12-13,24-25,31H,5-11,14-23,26-29H2,1-4H3,(H-,37,38,41,42)/b13-12-,25-24+/t31-/m1/s1
InChIKeyWBZDEIQBKMWQFC-PESZKXNGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
OKODiA-PC (CHEBI:185378) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
[(2R)-2-[(E)-7-carboxy-5-oxohept-6-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
113380812ChemSpider
LMGP20010036LIPID MAPS