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CHEBI:58037 - O-demethylpuromycin(1+)

ChEBI IDCHEBI:58037
ChEBI NameO-demethylpuromycin(1+)
Stars
ASCII NameO-demethylpuromycin(1+)
DefinitionThe conjugate acid of O-demethylpuromycin; major species at pH 7.3.
Last Modified6 May 2015
DownloadsMolfile
FormulaC21H28N7O5
Net Charge+1
Average Mass458.499
Monoisotopic Mass458.21464
SMILESCN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)[C@H]1O
InChIInChI=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
InChIKeyNVZJDPXVSWFFJJ-YXDKPKCJSA-O
ChEBI Ontology
Outgoing Relation(s)
O-demethylpuromycin(1+) (CHEBI:58037) is a ammonium ion derivative (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 Relation(s)
O-demethylpuromycin (CHEBI:17161) is conjugate base of O-demethylpuromycin(1+) (CHEBI:58037)
IUPAC Name 
3'-deoxy-N,N-dimethyl-3'-(L-tyrosiniumamido)adenosine
Synonym  Source
O-demethylpuromycin cationChEBI
UniProt Name  Source
O-demethylpuromycinUniProt