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CHEBI:156521 - premycofactocinol

ChEBI IDCHEBI:156521
ChEBI Namepremycofactocinol
Stars
DefinitionA 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.
Last Modified18 September 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC13H17NO3
Net Charge0
Average Mass235.283
Monoisotopic Mass235.12084
SMILESCC1(C)C(O)=C(O)NC1Cc1ccc(O)cc1
InChIInChI=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
InChIKeyRNRPPZYXOJFWQP-UHFFFAOYSA-N
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
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  Source
PMFTH2SUBMITTER
5-[(4-hydroxyphenyl)methyl]-4,4-dimethyl-4,5-dihydro-1H-pyrrole-2,3-diolIUPAC
pre-mycofactocinolMetaCyc
reduced pre-mycofactocinMetaCyc
Manual XrefsDatabases
CPD-22874MetaCyc
Citations