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CHEBI:177626 - Ciprostene

ChEBI IDCHEBI:177626
ChEBI NameCiprostene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H36O4
Net Charge0
Average Mass364.526
Monoisotopic Mass364.26136
SMILES[H][C@]12C/C(=C/CCCC(=O)O)C[C@@]1(C)C[C@@H](O)[C@@H]2/C=C/[C@@H](O)CCCCC
InChIInChI=1S/C22H36O4/c1-3-4-5-9-17(23)11-12-18-19-13-16(8-6-7-10-21(25)26)14-22(19,2)15-20(18)24/h8,11-12,17-20,23-24H,3-7,9-10,13-15H2,1-2H3,(H,25,26)/b12-11+,16-8-/t17-,18+,19+,20+,22-/m0/s1
InChIKeyVKPYUUBEDXIQIB-QBPWRKFFSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Ciprostene (CHEBI:177626) is a prostanoid (CHEBI:26347)
IUPAC Name 
(5Z)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-6a-methyl-1,3,3a,4,5,6-hexahydropentalen-2-ylidene]pentanoic acid
Manual XrefsDatabases
4943416ChemSpider
Registry NumbersSources
CAS:81845-44-5ChemIDplus