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CHEBI:187045 - PG(13:0/18:4(6Z,9Z,12Z,15Z))

ChEBI IDCHEBI:187045
ChEBI NamePG(13:0/18:4(6Z,9Z,12Z,15Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H65O10P
Net Charge0
Average Mass700.891
Monoisotopic Mass700.43153
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C37H65O10P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-37(41)47-35(33-46-48(42,43)45-31-34(39)30-38)32-44-36(40)28-26-24-22-20-14-12-10-8-6-4-2/h5,7,11,13,16-17,19,21,34-35,38-39H,3-4,6,8-10,12,14-15,18,20,22-33H2,1-2H3,(H,42,43)/b7-5-,13-11-,17-16-,21-19-/t34-,35+/m0/s1
InChIKeyKZCBPJACARODPB-AZKJPFAFSA-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(13:0/18:4(6Z,9Z,12Z,15Z)) (CHEBI:187045) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-tridecanoyloxypropan-2-yl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
Manual XrefsDatabases
LMGP04010081LIPID MAPS
113376835ChemSpider