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CHEBI:186831 - PG(22:0/18:4(6Z,9Z,12Z,15Z))

ChEBI IDCHEBI:186831
ChEBI NamePG(22:0/18:4(6Z,9Z,12Z,15Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H83O10P
Net Charge0
Average Mass827.134
Monoisotopic Mass826.57239
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C46H83O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-45(49)53-41-44(42-55-57(51,52)54-40-43(48)39-47)56-46(50)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,23,28,30,43-44,47-48H,3-5,7,9-11,13,15-17,19-22,24-27,29,31-42H2,1-2H3,(H,51,52)/b8-6-,14-12-,23-18-,30-28-/t43-,44+/m0/s1
InChIKeyVVXSLBWGGVKSCN-GGPAVPQGSA-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(22:0/18:4(6Z,9Z,12Z,15Z)) (CHEBI:186831) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropyl] docosanoate
Manual XrefsDatabases
LMGP04010713LIPID MAPS
113377407ChemSpider