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CHEBI:140261 - adenosine-5'-(N-propyl)carboxamide

ChEBI IDCHEBI:140261
ChEBI Nameadenosine-5'-(N-propyl)carboxamide
Stars
ASCII Nameadenosine-5'-(N-propyl)carboxamide
DefinitionA monocarboxylic acid amide that is the propyl amide of adenosine 5'-carboxylic acid.
Secondary ChEBI IDsCHEBI:206536, CHEBI:277343, CHEBI:705348
Last Modified5 March 2014
DownloadsMolfile
FormulaC13H18N6O4
Net Charge0
Average Mass322.325
Monoisotopic Mass322.13895
SMILESCCCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C13H18N6O4/c1-2-3-15-12(22)9-7(20)8(21)13(23-9)19-5-18-6-10(14)16-4-17-11(6)19/h4-5,7-9,13,20-21H,2-3H2,1H3,(H,15,22)(H2,14,16,17)/t7-,8+,9-,13+/m0/s1
InChIKeyUQGKLARJCHZHSS-QRIDJOKKSA-N
ChEBI Ontology
Outgoing Relation(s)
adenosine-5'-(N-propyl)carboxamide (CHEBI:140261) is a adenosines (CHEBI:22260)
adenosine-5'-(N-propyl)carboxamide (CHEBI:140261) is a monocarboxylic acid amide (CHEBI:29347)
IUPAC Name 
1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-propylribofuranuronamide
Synonym  Source
(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy-N-propyltetrahydrofuran-2-carboxamideIUPAC
Registry NumbersSources
CAS:57872-80-7ChemIDplus
Citations