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CHEBI:186617 - OKODiA-PA

ChEBI IDCHEBI:186617
ChEBI NameOKODiA-PA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H49O11P
Net Charge0
Average Mass604.674
Monoisotopic Mass604.30125
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCC(=O)/C=C/C(=O)O
InChIInChI=1S/C29H49O11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28(33)38-23-26(24-39-41(35,36)37)40-29(34)20-17-18-25(30)21-22-27(31)32/h9-10,21-22,26H,2-8,11-20,23-24H2,1H3,(H,31,32)(H2,35,36,37)/b10-9-,22-21+/t26-/m1/s1
InChIKeyVXDWKQOMTIIWSK-UKDIVRNCSA-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)
OKODiA-PA (CHEBI:186617) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
(E)-8-[(2R)-1-[(Z)-octadec-9-enoyl]oxy-3-phosphonooxypropan-2-yl]oxy-4,8-dioxooct-2-enoic acid
Manual XrefsDatabases
LMGP20070030LIPID MAPS
113381017ChemSpider