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CHEBI:185874 - PG(18:1(9Z)/21:0)

ChEBI IDCHEBI:185874
ChEBI NamePG(18:1(9Z)/21:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H87O10P
Net Charge0
Average Mass819.155
Monoisotopic Mass818.60369
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C45H87O10P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-45(49)55-43(41-54-56(50,51)53-39-42(47)38-46)40-52-44(48)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h18,22,42-43,46-47H,3-17,19-21,23-41H2,1-2H3,(H,50,51)/b22-18-/t42-,43+/m0/s1
InChIKeyOUSXEXJQVSAIMM-ARANYICASA-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(18:1(9Z)/21:0) (CHEBI:185874) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl] henicosanoate
Manual XrefsDatabases
LMGP04010336LIPID MAPS
113377069ChemSpider