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CHEBI:186160 - OHODA-PG

ChEBI IDCHEBI:186160
ChEBI NameOHODA-PG
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H65O12P
Net Charge0
Average Mass720.878
Monoisotopic Mass720.42136
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCCC(O)/C=C/C=O
InChIInChI=1S/C36H65O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-25-35(41)45-30-34(31-47-49(43,44)46-29-33(40)28-38)48-36(42)26-21-18-15-16-19-23-32(39)24-22-27-37/h9-10,22,24,27,32-34,38-40H,2-8,11-21,23,25-26,28-31H2,1H3,(H,43,44)/b10-9-,24-22+/t32?,33-,34+/m0/s1
InChIKeyAAULHHPRBHMMFM-MMSSRWOLSA-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)
OHODA-PG (CHEBI:186160) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(E)-9-hydroxy-12-oxododec-10-enoyl]oxypropyl] (Z)-octadec-9-enoate
Manual XrefsDatabases
LMGP20060035LIPID MAPS
113380986ChemSpider