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CHEBI:197118 - PG(18:4(6Z,9Z,12Z,15Z)/22:1(11Z))

ChEBI IDCHEBI:197118
ChEBI NamePG(18:4(6Z,9Z,12Z,15Z)/22:1(11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H81O10P
Net Charge0
Average Mass825.118
Monoisotopic Mass824.55674
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC
InChIInChI=1S/C46H81O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20-21,23,27,29,43-44,47-48H,3-5,7,9-11,13,15-17,19,22,24-26,28,30-42H2,1-2H3,(H,51,52)/b8-6-,14-12-,21-20-,23-18-,29-27-/t43-,44+/m0/s1
InChIKeyAHOXDGYIKOCCII-CCDZVRGPSA-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(18:4(6Z,9Z,12Z,15Z)/22:1(11Z)) (CHEBI:197118) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropan-2-yl] (Z)-docos-11-enoate
Manual XrefsDatabases
LMGP04010452LIPID MAPS
113377159ChemSpider