EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:231026 - PG(a-25:0/PGF1alpha)

ChEBI IDCHEBI:231026
ChEBI NamePG(a-25:0/PGF1alpha)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H97O13P
Net Charge0
Average Mass949.298
Monoisotopic Mass948.66668
SMILESCCCCC[C@H](O)/C=C/[C@@H]1[C@@H](CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COP(=O)(O)OC[C@@H](O)CO)[C@@H](O)C[C@H]1O
InChIInChI=1S/C51H97O13P/c1-4-6-25-31-43(53)35-36-47-46(48(55)37-49(47)56)32-27-23-24-29-34-51(58)64-45(41-63-65(59,60)62-39-44(54)38-52)40-61-50(57)33-28-22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-26-30-42(3)5-2/h35-36,42-49,52-56H,4-34,37-41H2,1-3H3,(H,59,60)/b36-35+/t42?,43-,44-,45+,46+,47+,48-,49+/m0/s1
InChIKeyIJUJMHIHKGIZPM-NTIKHHJRSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PG(a-25:0/PGF1alpha) (CHEBI:231026) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2R)-2-[7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]heptanoyloxy]-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxypropyl] 22-methyltetracosanoate
Manual XrefsDatabases
128427848ChemSpider
HMDB0271041HMDB