EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:185581 - OKOHA-PA

ChEBI IDCHEBI:185581
ChEBI NameOKOHA-PA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H47O10P
Net Charge0
Average Mass574.648
Monoisotopic Mass574.29068
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCC(=O)/C=C/C=O
InChIInChI=1S/C28H47O10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27(31)36-23-26(24-37-39(33,34)35)38-28(32)21-20-25(30)18-17-22-29/h9-10,17-18,22,26H,2-8,11-16,19-21,23-24H2,1H3,(H2,33,34,35)/b10-9-,18-17+/t26-/m1/s1
InChIKeyTVFXQYCFQUNKIM-AXBYXETNSA-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)
OKOHA-PA (CHEBI:185581) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-[(E)-4,7-dioxohept-5-enoyl]oxy-3-phosphonooxypropyl] (Z)-octadec-9-enoate
Manual XrefsDatabases
113381012ChemSpider
LMGP20070025LIPID MAPS