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CHEBI:231159 - PG(a-25:0/PGJ2)

ChEBI IDCHEBI:231159
ChEBI NamePG(a-25:0/PGJ2)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H91O12P
Net Charge0
Average Mass927.251
Monoisotopic Mass926.62481
SMILESCCCCC[C@H](O)/C=C/[C@H]1C(=O)C=C[C@@H]1C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C51H91O12P/c1-4-6-25-32-45(53)36-37-48-44(35-38-49(48)55)31-27-23-24-29-34-51(57)63-47(42-62-64(58,59)61-40-46(54)39-52)41-60-50(56)33-28-22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-26-30-43(3)5-2/h23,27,35-38,43-48,52-54H,4-22,24-26,28-34,39-42H2,1-3H3,(H,58,59)/b27-23-,37-36+/t43?,44-,45-,46-,47+,48+/m0/s1
InChIKeyUFXDMGHVRSNZKF-MJMCJFRPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PG(a-25:0/PGJ2) (CHEBI:231159) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(Z)-7-[(1S,5R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-4-oxocyclopent-2-en-1-yl]hept-5-enoyl]oxypropyl] 22-methyltetracosanoate
Manual XrefsDatabases
128427840ChemSpider
HMDB0270977HMDB