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CHEBI:186284 - PG(19:1(9Z)/21:0)

ChEBI IDCHEBI:186284
ChEBI NamePG(19:1(9Z)/21:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H89O10P
Net Charge0
Average Mass833.182
Monoisotopic Mass832.61934
SMILESCCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C46H89O10P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h20,23,43-44,47-48H,3-19,21-22,24-42H2,1-2H3,(H,51,52)/b23-20-/t43-,44+/m0/s1
InChIKeyVULMKIJGYBLJCL-MSILKGAPSA-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)
PG(19:1(9Z)/21:0) (CHEBI:186284) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-nonadec-9-enoyl]oxypropan-2-yl] henicosanoate
Manual XrefsDatabases
113377210ChemSpider
LMGP04010505LIPID MAPS