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CHEBI:185285 - PG(22:4(7Z,10Z,13Z,16Z)/19:1(9Z))

ChEBI IDCHEBI:185285
ChEBI NamePG(22:4(7Z,10Z,13Z,16Z)/19:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H83O10P
Net Charge0
Average Mass839.145
Monoisotopic Mass838.57239
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCC/C=C\CCCCCCCCC
InChIInChI=1S/C47H83O10P/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-26-28-30-32-34-36-38-46(50)54-42-45(43-56-58(52,53)55-41-44(49)40-48)57-47(51)39-37-35-33-31-29-27-24-20-18-16-14-12-10-8-6-4-2/h11,13,17,19-20,22-24,26,28,44-45,48-49H,3-10,12,14-16,18,21,25,27,29-43H2,1-2H3,(H,52,53)/b13-11-,19-17-,23-22-,24-20-,28-26-/t44-,45+/m0/s1
InChIKeyRWLOCVQIKSYXID-CWJQTHECSA-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(22:4(7Z,10Z,13Z,16Z)/19:1(9Z)) (CHEBI:185285) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(Z)-nonadec-9-enoyl]oxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual XrefsDatabases
LMGP04010805LIPID MAPS
113377499ChemSpider