EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:184685 - OOV-PA

ChEBI IDCHEBI:184685
ChEBI NameOOV-PA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H47O9P
Net Charge0
Average Mass534.627
Monoisotopic Mass534.29577
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCC=O
InChIInChI=1S/C26H47O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25(28)33-22-24(23-34-36(30,31)32)35-26(29)20-17-18-21-27/h9-10,21,24H,2-8,11-20,22-23H2,1H3,(H2,30,31,32)/b10-9-/t24-/m1/s1
InChIKeyJHXBXWDXAHPHCM-OPSAWKISSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
OOV-PA (CHEBI:184685) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-(5-oxopentanoyloxy)-3-phosphonooxypropyl] (Z)-octadec-9-enoate
Manual XrefsDatabases
LMGP20070022LIPID MAPS
113381009ChemSpider