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CHEBI:187345 - OOB-PG

ChEBI IDCHEBI:187345
ChEBI NameOOB-PG
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H51O11P
Net Charge0
Average Mass594.679
Monoisotopic Mass594.31690
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCC=O
InChIInChI=1S/C28H51O11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-27(32)36-23-26(39-28(33)19-17-20-29)24-38-40(34,35)37-22-25(31)21-30/h9-10,20,25-26,30-31H,2-8,11-19,21-24H2,1H3,(H,34,35)/b10-9-/t25-,26+/m0/s1
InChIKeyIKVMRKHEECFSMS-SYCADYHESA-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)
OOB-PG (CHEBI:187345) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-(4-oxobutanoyloxy)propyl] (Z)-octadec-9-enoate
Manual XrefsDatabases
LMGP20060019LIPID MAPS
113380970ChemSpider