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CHEBI:187291 - PKODA-PG

ChEBI IDCHEBI:187291
ChEBI NamePKODA-PG
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H61O12P
Net Charge0
Average Mass692.824
Monoisotopic Mass692.39006
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCCC(=O)/C=C/C=O
InChIInChI=1S/C34H61O12P/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-23-33(39)43-28-32(29-45-47(41,42)44-27-31(38)26-36)46-34(40)24-19-16-13-14-17-21-30(37)22-20-25-35/h20,22,25,31-32,36,38H,2-19,21,23-24,26-29H2,1H3,(H,41,42)/b22-20+/t31-,32+/m0/s1
InChIKeyRFBFIDYTYDLLIU-QGKLTKKDSA-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)
PKODA-PG (CHEBI:187291) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(E)-9,12-dioxododec-10-enoyl]oxypropyl] hexadecanoate
Manual XrefsDatabases
LMGP20060002LIPID MAPS
113380953ChemSpider