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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name adenosine-5'-(N-propyl)carboxamide
ChEBI ID CHEBI:140261
ChEBI ASCII Name adenosine-5'-(N-propyl)carboxamide
Definition A monocarboxylic acid amide that is the propyl amide of adenosine 5'-carboxylic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:705348, CHEBI:206536, CHEBI:277343
Supplier Information
Download Molfile XML SDF
Formula C13H18N6O4
Net Charge 0
Average Mass 322.31980
Monoisotopic Mass 322.13895
InChI InChI=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
InChIKey UQGKLARJCHZHSS-QRIDJOKKSA-N
SMILES CCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
ChEBI Ontology
Outgoing 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-carboxamide IUPAC
Registry Number Type Source
57872-80-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10212124 PubMed citation ChEMBL
11170630 PubMed citation ChEMBL
7365748 PubMed citation ChEMBL
7365748 PubMed citation ChEMBL
Last Modified
05 March 2014