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CHEBI:185036 - OHOHA-PG

ChEBI IDCHEBI:185036
ChEBI NameOHOHA-PG
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H55O12P
Net Charge0
Average Mass650.743
Monoisotopic Mass650.34311
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCC(O)/C=C/C=O
InChIInChI=1S/C31H55O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-30(36)40-25-29(26-42-44(38,39)41-24-28(35)23-33)43-31(37)21-20-27(34)18-17-22-32/h9-10,17-18,22,27-29,33-35H,2-8,11-16,19-21,23-26H2,1H3,(H,38,39)/b10-9-,18-17+/t27?,28-,29+/m0/s1
InChIKeyAHOPWIMCFHCTSM-HJEVCKDUSA-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)
OHOHA-PG (CHEBI:185036) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(E)-4-hydroxy-7-oxohept-5-enoyl]oxypropyl] (Z)-octadec-9-enoate
Manual XrefsDatabases
113380978ChemSpider
LMGP20060027LIPID MAPS