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CHEBI:186047 - PG(17:1(9Z)/22:1(11Z))

ChEBI IDCHEBI:186047
ChEBI NamePG(17:1(9Z)/22:1(11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H85O10P
Net Charge0
Average Mass817.139
Monoisotopic Mass816.58804
SMILESCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC
InChIInChI=1S/C45H85O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-45(49)55-43(41-54-56(50,51)53-39-42(47)38-46)40-52-44(48)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h16,18,20-21,42-43,46-47H,3-15,17,19,22-41H2,1-2H3,(H,50,51)/b18-16-,21-20-/t42-,43+/m0/s1
InChIKeyHMNQKJOEVOOAKR-QBTODZROSA-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(17:1(9Z)/22:1(11Z)) (CHEBI:186047) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-heptadec-9-enoyl]oxypropan-2-yl] (Z)-docos-11-enoate
Manual XrefsDatabases
LMGP04010274LIPID MAPS
113377014ChemSpider