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CHEBI:186419 - PG(18:3(6Z,9Z,12Z)/21:0)

ChEBI IDCHEBI:186419
ChEBI NamePG(18:3(6Z,9Z,12Z)/21:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H83O10P
Net Charge0
Average Mass815.123
Monoisotopic Mass814.57239
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C45H83O10P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-45(49)55-43(41-54-56(50,51)53-39-42(47)38-46)40-52-44(48)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h12,14,18,22,26,28,42-43,46-47H,3-11,13,15-17,19-21,23-25,27,29-41H2,1-2H3,(H,50,51)/b14-12-,22-18-,28-26-/t42-,43+/m0/s1
InChIKeyIPCDIDJTISNOLB-VJSZKWLZSA-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)/21:0) (CHEBI:186419) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropan-2-yl] henicosanoate
Manual XrefsDatabases
113377108ChemSpider
LMGP04010391LIPID MAPS