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CHEBI:187231 - PG(18:3(6Z,9Z,12Z)/16:0)

ChEBI IDCHEBI:187231
ChEBI NamePG(18:3(6Z,9Z,12Z)/16:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H73O10P
Net Charge0
Average Mass744.988
Monoisotopic Mass744.49414
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C40H73O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13,17-18,21,23,37-38,41-42H,3-10,12,14-16,19-20,22,24-36H2,1-2H3,(H,45,46)/b13-11-,18-17-,23-21-/t37-,38+/m0/s1
InChIKeyHTKSHFXCKKXOLW-WJAPAJAMSA-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(18:3(6Z,9Z,12Z)/16:0) (CHEBI:187231) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
Manual XrefsDatabases
HMDB0010660HMDB
LMGP04010372LIPID MAPS
24768159ChemSpider