CHEBI:58037 - O-demethylpuromycin(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name O-demethylpuromycin(1+)
ChEBI ID CHEBI:58037
ChEBI ASCII Name O-demethylpuromycin(1+)
Definition The conjugate acid of O-demethylpuromycin; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H28N7O5
Net Charge +1
Average Mass 458.49090
Monoisotopic Mass 458.21464
InChI InChI=1S/C21H27N7O5/c1-27(2)18-16-19(24-9-23-18)28(10-25-16)21-17(31)15(14(8-29)33-21)26-20(32)13(22)7-11-3-5-12(30)6-4-11/h3-6,9-10,13-15,17,21,29-31H,7-8,22H2,1-2H3,(H,26,32)/p+1/t13-,14+,15+,17+,21+/m0/s1
InChIKey NVZJDPXVSWFFJJ-YXDKPKCJSA-O
SMILES CN(C)c1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)[C@H]1O
ChEBI Ontology
Outgoing O-demethylpuromycin(1+) (CHEBI:58037) is a ammonium ion (CHEBI:35274)
O-demethylpuromycin(1+) (CHEBI:58037) is a organic cation (CHEBI:25697)
O-demethylpuromycin(1+) (CHEBI:58037) is conjugate acid of O-demethylpuromycin (CHEBI:17161)
Incoming O-demethylpuromycin (CHEBI:17161) is conjugate base of O-demethylpuromycin(1+) (CHEBI:58037)
IUPAC Name
3'-deoxy-N,N-dimethyl-3'-(L-tyrosiniumamido)adenosine
Synonyms Sources
O-demethylpuromycin UniProt
O-demethylpuromycin cation ChEBI
Last Modified
06 May 2015