The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Id http://purl.obolibrary.org/obo/CHEBI_73284
http://purl.obolibrary.org/obo/CHEBI_73284
Preferred Name

N-ethyl-5'-carboxamidoadenosine
Synonyms
C12H16N6O4
5'-N-Ethylcarboxamidoadenosine
Adenosine-5'-(N-ethylcarboxamide)
1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-ethyl-beta-D-ribofuranuronamide
NECA
(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
Type http://www.w3.org/2002/07/owl#Class

All Properties

prefLabel
N-ethyl-5'-carboxamidoadenosine
label
N-ethyl-5'-carboxamidoadenosine
Definition
A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by an N-ethylcarboxamido group.
altId
CHEBI:44344
type
has role
InChIKey
InChIKey=JADDQZYHOWSFJD-FLNNQWSLSA-N
InChIKey=JADDQZYHOWSFJD-BMYQGPEFSA-N
Synonym
C12H16N6O4
5'-N-Ethylcarboxamidoadenosine
Adenosine-5'-(N-ethylcarboxamide)
1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-ethyl-beta-D-ribofuranuronamide
NECA
(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
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xref
Patent:WO2009006089
CASRN:35920-39-9
PDBeChem:NEC
PubChem Compound:6604901
CiteXplore:23597562
ChEMBL:566130
CiteXplore:23396225
Patent:US2007281902
PubChem Substance:46509074
DrugBank:DB03719
BindingDB:21220
CiteXplore:23453966
CiteXplore:23429888
CiteXplore:23215695
Reaxys:630061
PDB:NEC
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prefixIRI
obo2:CHEBI_73284
related with
SMILES
CCNC(=O)[C@@H]1O[C@H]([C@H](O)[C@H]1O)N1C=NC2=C1N=CN=C2N
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
DBname
n-ethyl-5'-carboxamido adenosine
InChI
InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7-,8-,12-/m1/s1
InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
subClassOf
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