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CHEBI:187261 - PG(13:0/20:5(5Z,8Z,11Z,14Z,17Z))

ChEBI IDCHEBI:187261
ChEBI NamePG(13:0/20:5(5Z,8Z,11Z,14Z,17Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H67O10P
Net Charge0
Average Mass726.929
Monoisotopic Mass726.44718
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C39H67O10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-39(43)49-37(35-48-50(44,45)47-33-36(41)32-40)34-46-38(42)30-28-26-24-22-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,23,25,36-37,40-41H,3-4,6,8-10,12,14-15,18,21-22,24,26-35H2,1-2H3,(H,44,45)/b7-5-,13-11-,17-16-,20-19-,25-23-/t36-,37+/m0/s1
InChIKeyIRKCQDBZUYZTFC-QCNWHNERSA-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(13:0/20:5(5Z,8Z,11Z,14Z,17Z)) (CHEBI:187261) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-tridecanoyloxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
Manual XrefsDatabases
LMGP04010087LIPID MAPS
113376841ChemSpider