N-demethylindolmycin (CHEBI:111763)

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ChEBI Name	N-demethylindolmycin

ChEBI ID	CHEBI:111763

ChEBI ASCII Name	N-demethylindolmycin

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C13H13N3O2

Net Charge

Average Mass

243.262

Monoisotopic Mass

243.10078

InChI

InChI=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

InChIKey

JMQXZRUQJGJVSC-HQJQHLMTSA-N

SMILES

C12=CC=CC=C1C(=CN2)[C@@H](C)[C@]3(C(N=C(O3)N)=O)[H]

Metabolite of Species	Details
Streptomyces griseus (NCBI:txid1911)	of strain ATCC 12648 See: PubMed

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria.

ChEBI Ontology
Outgoing	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	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

Registry Number	Type	Source
8988159	Reaxys Registry Number	Reaxys

Citation	Type	Source
25730866	PubMed citation	Europe PMC

Last Modified

11 April 2016