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CHEBI:186146 - PG(20:5(5Z,8Z,11Z,14Z,17Z)/13:0)

ChEBI IDCHEBI:186146
ChEBI NamePG(20:5(5Z,8Z,11Z,14Z,17Z)/13:0)
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)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCCCCCCC
InChIInChI=1S/C39H67O10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-24-26-28-30-38(42)46-34-37(35-48-50(44,45)47-33-36(41)32-40)49-39(43)31-29-27-25-22-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,23-24,36-37,40-41H,3-4,6,8-10,12,14-15,18,21-22,25-35H2,1-2H3,(H,44,45)/b7-5-,13-11-,17-16-,20-19-,24-23-/t36-,37+/m0/s1
InChIKeyBUCSGDDIEGDCSE-HLEZLOOUSA-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(20:5(5Z,8Z,11Z,14Z,17Z)/13:0) (CHEBI:186146) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-tridecanoyloxypropyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
Manual XrefsDatabases
LMGP04010649LIPID MAPS
113377343ChemSpider