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CHEBI:231075 - PG(18:1(12Z)-2OH(9,10)/i-22:0)

ChEBI IDCHEBI:231075
ChEBI NamePG(18:1(12Z)-2OH(9,10)/i-22:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H89O12P
Net Charge0
Average Mass865.180
Monoisotopic Mass864.60916
SMILESCCCCC/C=C\C[C@@H](O)[C@H](O)CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C46H89O12P/c1-4-5-6-7-22-27-32-43(49)44(50)33-28-23-20-25-29-34-45(51)55-38-42(39-57-59(53,54)56-37-41(48)36-47)58-46(52)35-30-24-19-17-15-13-11-9-8-10-12-14-16-18-21-26-31-40(2)3/h22,27,40-44,47-50H,4-21,23-26,28-39H2,1-3H3,(H,53,54)/b27-22-/t41-,42+,43+,44+/m0/s1
InChIKeyZOKLQLMCNRLJHO-BGPAATINSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
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)
PG(18:1(12Z)-2OH(9,10)/i-22:0) (CHEBI:231075) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-1-[(Z,9R,10R)-9,10-dihydroxyoctadec-12-enoyl]oxy-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxypropan-2-yl] 20-methylhenicosanoate
Manual XrefsDatabases
117226458ChemSpider
HMDB0272142HMDB