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CHEBI:165339 - PGI3

ChEBI IDCHEBI:165339
ChEBI NamePGI3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O5
Net Charge0
Average Mass350.455
Monoisotopic Mass350.20932
SMILES[H][C@]12C[C@@H](O)[C@H](/C=C/[C@@H](O)C/C=C\CC)[C@@]1([H])C/C(=C/CCCC(=O)O)O2
InChIInChI=1S/C20H30O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h3-4,8,10-11,14,16-19,21-22H,2,5-7,9,12-13H2,1H3,(H,23,24)/b4-3-,11-10+,15-8-/t14-,16+,17+,18+,19-/m0/s1
InChIKeyNCYSTSFUYSFMEO-OBLTVXDOSA-N
ChEBI Ontology
Outgoing Relation(s)
PGI3 (CHEBI:165339) is a prostanoid (CHEBI:26347)
IUPAC Name 
(5Z)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]uran-2-ylidene]pentanoic acid
Manual XrefsDatabases
4446176ChemSpider
LMFA03010045LIPID MAPS
Registry NumbersSources
CAS:68794-57-0ChemIDplus