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CHEBI:186079 - PG(18:3(6Z,9Z,12Z)/13:0)

Default Structure
ChEBI IDCHEBI:186079
ChEBI NamePG(18:3(6Z,9Z,12Z)/13:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H67O10P
Net Charge0
Average Mass702.907
Monoisotopic Mass702.44718
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCCCCCCC
InChIInChI=1S/C37H67O10P/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-28-36(40)44-32-35(33-46-48(42,43)45-31-34(39)30-38)47-37(41)29-27-25-23-20-14-12-10-8-6-4-2/h11,13,16-17,19,21,34-35,38-39H,3-10,12,14-15,18,20,22-33H2,1-2H3,(H,42,43)/b13-11-,17-16-,21-19-/t34-,35+/m0/s1
InChIKeyPNQJGJZKBMHGET-XFPHYQJKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
PG(18:3(6Z,9Z,12Z)/13:0) (CHEBI:186079) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-tridecanoyloxypropyl] (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
Manual XrefsDatabases
113377093ChemSpider
LMGP04010367LIPID MAPS