CHEBI:173208 - Carbacyclin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Carbacyclin
ChEBI ID CHEBI:173208
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H34O4
Net Charge 0
Average Mass 350.499
Monoisotopic Mass 350.24571
InChI InChI=1S/C21H34O4/c1-2-3-4-8-17(22)10-11-18-19-13-15(7-5-6-9-21(24)25)12-16(19)14-20(18)23/h7,10-11,16-20,22-23H,2-6,8-9,12-14H2,1H3,(H,24,25)/b11-10+,15-7-/t16-,17-,18+,19-,20+/m0/s1
InChIKey XZFRIPGNUQRGPI-WLPVIMDJSA-N
SMILES O[C@H]1[C@@H]([C@@]2([C@](C1)(C\C(\C2)=C\CCCC(O)=O)[H])[H])/C=C/[C@@H](O)CCCCC
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) Found in feces (BTO:0000440). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing Carbacyclin (CHEBI:173208) is a prostanoid (CHEBI:26347)
IUPAC Name
(5Z)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
Manual Xref Database
4470761 ChemSpider
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