CHEBI:156521 - premycofactocinol

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ChEBI Name premycofactocinol ChEBI ID CHEBI:156521 Definition A member of the class of pyrrolines that is 2-pyrroline in which the hydrogens at positions 2,3,4,4, and 5 are replaced by hydroxy, hydroxy, methyl, methyl, and (4-hydroxyphenyl)methyl groups, respectively. It results from the reduction of premycofactocin by oxidoreductases. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C13H17NO3 Net Charge 0 Average Mass 235.283 Monoisotopic Mass 235.12084 InChI InChI=1S/C13H17NO3/c1-13(2)10(14-12(17)11(13)16)7-8-3-5-9(15)6-4-8/h3-6,10,14-17H,7H2,1-2H3 InChIKey RNRPPZYXOJFWQP-UHFFFAOYSA-N SMILES CC1(C)C(CC2=CC=C(O)C=C2)NC(O)=C1O Roles Classification Biological Role(s): bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. View more via ChEBI Ontology ChEBI Ontology Outgoing premycofactocinol (CHEBI:156521) has functional parent premycofactocin (CHEBI:150862) premycofactocinol (CHEBI:156521) has role bacterial metabolite (CHEBI:76969) premycofactocinol (CHEBI:156521) is a organic hydroxy compound (CHEBI:33822) premycofactocinol (CHEBI:156521) is a phenols (CHEBI:33853) premycofactocinol (CHEBI:156521) is a pyrroline (CHEBI:23763) IUPAC Name 5-(4-hydroxybenzyl)-4,4-dimethyl-4,5-dihydro-1H-pyrrole-2,3-diol Synonyms Sources 5-[(4-hydroxyphenyl)methyl]-4,4-dimethyl-4,5-dihydro-1H-pyrrole-2,3-diol IUPAC PMFTH2 SUBMITTER pre-mycofactocinol MetaCyc premycofactocinol UniProt reduced pre-mycofactocin MetaCyc Manual Xref Database CPD-22874 MetaCyc View more database links Citation Type Source 31381312 PubMed citation SUBMITTER Last Modified 18 September 2020

General Comment 2020-09-18 Relevant articles: DOI:10.1039/d0sc01172j