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CHEBI:187165 - OKOOA-PG

ChEBI IDCHEBI:187165
ChEBI NameOKOOA-PG
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H55O12P
Net Charge0
Average Mass662.754
Monoisotopic Mass662.34311
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCC(=O)/C=C/C=O
InChIInChI=1S/C32H55O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-31(37)41-26-30(27-43-45(39,40)42-25-29(36)24-34)44-32(38)22-17-19-28(35)20-18-23-33/h9-10,18,20,23,29-30,34,36H,2-8,11-17,19,21-22,24-27H2,1H3,(H,39,40)/b10-9-,20-18+/t29-,30+/m0/s1
InChIKeyYCEAAUANOREYMN-FHFRGTEHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
OKOOA-PG (CHEBI:187165) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(E)-5,8-dioxooct-6-enoyl]oxypropyl] (Z)-octadec-9-enoate
Manual XrefsDatabases
LMGP20060029LIPID MAPS
113380980ChemSpider