CHEBI:91178 - N-demethylindolmycin(1+)

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ChEBI Name N-demethylindolmycin(1+)
ChEBI ID CHEBI:91178
ChEBI ASCII Name N-demethylindolmycin(1+)
Definition An organic cation obtained by protonation at position 3 in the oxazole ring of N-demethylindolmycin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C13H14N3O2
Net Charge +1
Average Mass 244.270
Monoisotopic Mass 244.10805
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)/p+1/t7-,11+/m1/s1
InChIKey JMQXZRUQJGJVSC-HQJQHLMTSA-O
SMILES C12=CC=CC=C1C(=CN2)[C@@H](C)[C@]3(C([NH+]=C(O3)N)=O)[H]
ChEBI Ontology
Outgoing N-demethylindolmycin(1+) (CHEBI:91178) is a organic cation (CHEBI:25697)
N-demethylindolmycin(1+) (CHEBI:91178) is conjugate acid of N-demethylindolmycin (CHEBI:111763)
Incoming N-demethylindolmycin (CHEBI:111763) is conjugate base of N-demethylindolmycin(1+) (CHEBI:91178)
IUPAC Name
(5S)-2-amino-5-[(1R)-1-(1H-indol-3-yl)ethyl]-4-oxo-4,5-dihydro-1,3-oxazol-3-ium
Synonym Source
N-demethylindolmycin UniProt
Manual Xref Database
CPD-18933 MetaCyc
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Citation Waiting for Citations Type Source
25730866 PubMed citation SUBMITTER
Last Modified
11 April 2016