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CHEBI:184944 - PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/17:0)

ChEBI IDCHEBI:184944
ChEBI NamePG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/17:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H77O10P
Net Charge0
Average Mass809.075
Monoisotopic Mass808.52544
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C45H77O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-26-28-30-32-34-36-44(48)52-40-43(41-54-56(50,51)53-39-42(47)38-46)55-45(49)37-35-33-31-29-27-24-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,25-26,30,32,42-43,46-47H,3-4,6,8-10,12,14-16,18,20,23-24,27-29,31,33-41H2,1-2H3,(H,50,51)/b7-5-,13-11-,19-17-,22-21-,26-25-,32-30-/t42-,43+/m0/s1
InChIKeyOVCAXQCKLCDLTM-DEMYAWBWSA-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(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/17:0) (CHEBI:184944) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-heptadecanoyloxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual XrefsDatabases
113377517ChemSpider
LMGP04010824LIPID MAPS