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CHEBI:192144 - 5-cis-15(R)-Iloprost

ChEBI IDCHEBI:192144
ChEBI Name5-cis-15(R)-Iloprost
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O4
Net Charge0
Average Mass360.494
Monoisotopic Mass360.23006
SMILES[H][C@@]12C/C(=C/CCCC(=O)O)C[C@]1([H])[C@@H](/C=C/[C@H](O)C(C)CC#CC)[C@H](O)C2
InChIInChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8-/t15?,17-,18+,19-,20-,21+/m0/s1
InChIKeyHIFJCPQKFCZDDL-KESZHIOGSA-N
Species of MetaboliteComponentSourceComments
Marine plankton environmental sample (ncbitaxon:632957) - MetaboLights (MTBLS4424) Found in endometabolome.
ChEBI Ontology
Outgoing Relation(s)
5-cis-15(R)-Iloprost (CHEBI:192144) is a prostanoid (CHEBI:26347)
IUPAC Name 
(5Z)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3R)-3-hydroxy-4-methyloct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
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