CHEBI:69137 - mycothiazole

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ChEBI Name mycothiazole
ChEBI ID CHEBI:69137
Definition A natural product found in Cacospongia mycofijiensis.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H32N2O3S
Net Charge 0
Average Mass 404.56600
Monoisotopic Mass 404.21336
InChI InChI=1S/C22H32N2O3S/c1-6-7-8-9-12-18-16-28-20(24-18)22(3,4)19(25)13-10-11-17(2)14-15-23-21(26)27-5/h6,8-11,16,19,25H,1-2,7,12-15H2,3-5H3,(H,23,26)/b9-8+,11-10-/t19-/m1/s1
InChIKey WOVFSYAJXQSJES-BFJIOXTGSA-N
SMILES COC(=O)NCCC(=C)\C=C/C[C@@H](O)C(C)(C)c1nc(C\C=C\CC=C)cs1
Metabolite of Species Details
Cacospongia mycofijiensis (NCBI:txid1162744) See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing mycothiazole (CHEBI:69137) has role metabolite (CHEBI:25212)
mycothiazole (CHEBI:69137) is a thiazoles (CHEBI:48901)
Synonym Source
Carbamic acid, ((4Z,7R)-8-(4-((2Z)-2,5-hexadienyl)-2-thiazolyl)-7-hydroxy-8-methyl-3-methylene-4-nonenyl)-,methyl ester ChEBI
Registry Number Type Source
114582-75-1 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
22129061 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:carbamate ester(CHEBI:23003); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic ester(CHEBI:33308); ISA:ether(CHEBI:25698); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352); ISA:amine(CHEBI:32952);