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CHEBI:186942 - OHODiA-PC

ChEBI IDCHEBI:186942
ChEBI NameOHODiA-PC
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H62NO11P
Net Charge0
Average Mass691.840
Monoisotopic Mass691.40605
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/C34H62NO11P/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/h12-13,24-25,30-31,36H,5-11,14-23,26-29H2,1-4H3,(H-,37,38,41,42)/b13-12-,25-24+/t30?,31-/m1/s1
InChIKeyORJJIZYMQMCWMN-KSWOFNOMSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
OHODiA-PC (CHEBI:186942) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
[(2R)-2-[(E)-7-carboxy-5-hydroxyhept-6-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
113380814ChemSpider
LMGP20010038LIPID MAPS