CHEBI:185395 - Isomycomycin

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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 Isomycomycin
ChEBI ID CHEBI:185395
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H10O2
Net Charge 0
Average Mass 198.221
Monoisotopic Mass 198.06808
InChI InChI=1S/C13H10O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h8-11H,12H2,1H3,(H,14,15)/b9-8-,11-10+
InChIKey HCPADGVIDOCFKJ-QNRZBPGKSA-N
SMILES OC(=O)C/C=C/C=C\C#CC#CC#CC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Isomycomycin (CHEBI:185395) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name
(3E,5Z)-trideca-3,5-dien-7,9,11-triynoic acid
Manual Xref Database
32701274 ChemSpider
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Registry Number Type Source
505-94-2 CAS Registry Number ChemIDplus