EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:230066 - PA(13:0/PGF1alpha)

ChEBI IDCHEBI:230066
ChEBI NamePA(13:0/PGF1alpha)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H67O11P
Net Charge0
Average Mass706.895
Monoisotopic Mass706.44210
SMILESCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCC[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@@H]1O
InChIInChI=1S/C36H67O11P/c1-3-5-7-8-9-10-11-12-13-18-22-35(40)45-27-30(28-46-48(42,43)44)47-36(41)23-19-15-14-17-21-31-32(34(39)26-33(31)38)25-24-29(37)20-16-6-4-2/h24-25,29-34,37-39H,3-23,26-28H2,1-2H3,(H2,42,43,44)/b25-24+/t29-,30+,31+,32+,33-,34+/m0/s1
InChIKeyRRKAGXZSPXCMOO-BWGZFSHPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PA(13:0/PGF1alpha) (CHEBI:230066) 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-phosphonooxypropyl] tridecanoate
Manual XrefsDatabases
HMDB0262946HMDB
128426446ChemSpider