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CHEBI:197138 - PG(20:3(8Z,11Z,14Z)/21:0)

ChEBI IDCHEBI:197138
ChEBI NamePG(20:3(8Z,11Z,14Z)/21:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H87O10P
Net Charge0
Average Mass843.177
Monoisotopic Mass842.60369
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C47H87O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-47(51)57-45(43-56-58(52,53)55-41-44(49)40-48)42-54-46(50)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,44-45,48-49H,3-11,13,15-17,19,21-23,25,27-43H2,1-2H3,(H,52,53)/b14-12-,20-18-,26-24-/t44-,45+/m0/s1
InChIKeyFNCWSKGCDXNPEV-GULADZKMSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
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(20:3(8Z,11Z,14Z)/21:0) (CHEBI:197138) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxypropan-2-yl] henicosanoate
Manual XrefsDatabases
113377315ChemSpider
LMGP04010614LIPID MAPS