EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:165338 - PGI2-EA

ChEBI IDCHEBI:165338
ChEBI NamePGI2-EA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H37NO5
Net Charge0
Average Mass395.540
Monoisotopic Mass395.26717
SMILES[H][C@]12C[C@@H](O)[C@H](/C=C/[C@@H](O)CCCCC)[C@@]1([H])C/C(=C/CCCC(=O)NCCO)O2
InChIInChI=1S/C22H37NO5/c1-2-3-4-7-16(25)10-11-18-19-14-17(28-21(19)15-20(18)26)8-5-6-9-22(27)23-12-13-24/h8,10-11,16,18-21,24-26H,2-7,9,12-15H2,1H3,(H,23,27)/b11-10+,17-8-/t16-,18+,19+,20+,21-/m0/s1
InChIKeyQLBALZYOTXGTDQ-VFFCLECNSA-N
ChEBI Ontology
Outgoing Relation(s)
PGI2-EA (CHEBI:165338) is a prostanoid (CHEBI:26347)
IUPAC Name 
(5Z)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]uran-2-ylidene]-N-(2-hydroxyethyl)pentanamide
Manual XrefsDatabases
LMFA03010218LIPID MAPS