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CHEBI:190377 - 13,14-dehydro-15-cyclohexyl Carbaprostacyclin

ChEBI IDCHEBI:190377
ChEBI Name13,14-dehydro-15-cyclohexyl Carbaprostacyclin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O4
Net Charge0
Average Mass346.467
Monoisotopic Mass346.21441
SMILES[H][C@@]12C/C(=C\CCCC(=O)O)C[C@]1([H])[C@@H](C#CC1(O)CCCCC1)[C@H](O)C2
InChIInChI=1S/C21H30O4/c22-19-14-16-12-15(6-2-3-7-20(23)24)13-18(16)17(19)8-11-21(25)9-4-1-5-10-21/h6,16-19,22,25H,1-5,7,9-10,12-14H2,(H,23,24)/b15-6+/t16-,17+,18-,19+/m0/s1
InChIKeyLGIPMFCHTFFLFR-PRYZLTTQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) intestinal content (NCIT:C189653) MetaboLights (MTBLS4101) Strain: C57BL/6J  [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
13,14-dehydro-15-cyclohexyl Carbaprostacyclin (CHEBI:190377) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(5E)-5-[(3aS,4S,5R,6aS)-5-hydroxy-4-[2-(1-hydroxycyclohexyl)ethynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
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