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CHEBI:111763 - N-demethylindolmycin

ChEBI IDCHEBI:111763
ChEBI NameN-demethylindolmycin
Stars
ASCII NameN-demethylindolmycin
DefinitionA member of the class of 1,3-oxazoles that is 1,3-oxazol-4(5H)-one which is substituted at the 2 and 5-pro-S positions by amino and [(1R)-1-(1H-indol-3-yl)ethyl] groups, respectively.
Last Modified11 April 2016
DownloadsMolfile
FormulaC13H13N3O2
Net Charge0
Average Mass243.266
Monoisotopic Mass243.10078
SMILES[H][C@@]1([C@H](C)c2cnc3ccccc23)OC(N)=NC1=O
InChIInChI=1S/C13H13N3O2/c1-7(11-12(17)16-13(14)18-11)9-6-15-10-5-3-2-4-8(9)10/h2-7,11,15H,1H3,(H2,14,16,17)/t7-,11+/m1/s1
InChIKeyJMQXZRUQJGJVSC-HQJQHLMTSA-N
Species of MetaboliteComponentSourceComments
Streptomyces griseus (ncbitaxon:1911) - PubMed (25730866) Strain: ATCC 12648
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
N-demethylindolmycin (CHEBI:111763) has role bacterial metabolite (CHEBI:76969)
N-demethylindolmycin (CHEBI:111763) is a 1,3-oxazoles (CHEBI:46812)
N-demethylindolmycin (CHEBI:111763) is a indoles (CHEBI:24828)
N-demethylindolmycin (CHEBI:111763) is a primary amino compound (CHEBI:50994)
N-demethylindolmycin (CHEBI:111763) is conjugate base of N-demethylindolmycin(1+) (CHEBI:91178)
Incoming Relation(s)
N-demethylindolmycin(1+) (CHEBI:91178) is conjugate acid of N-demethylindolmycin (CHEBI:111763)
IUPAC Name 
(5S)-2-amino-5-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4(5H)-one
Manual XrefsDatabases
CPD-18933MetaCyc
Registry NumbersSources
Reaxys:8988159Reaxys
Citations