EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:63059 - (2S,3R)-EHNA

Default Structure
ChEBI IDCHEBI:63059
ChEBI Name(2S,3R)-EHNA
Stars
ASCII Name(2S,3R)-EHNA
DefinitionEHNA of absolute configuration 2S,3R.
Last Modified25 November 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC14H23N5O
Net Charge0
Average Mass277.372
Monoisotopic Mass277.19026
SMILESCCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc21
InChIInChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1
InChIKeyIOSAAWHGJUZBOG-WDEREUQCSA-N
Roles Classification
Biological Roles:
EC 3.5.4.4 (adenosine deaminase) inhibitor  An EC 3.5.4.* (non-peptide cyclic amidine C-N hydrolase) inhibitor that interferes with the action of adenosine deaminase (EC 3.5.4.4).
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor  An EC 3.1.* (ester hydrolase) inhibitor that interferes with the action of a phosphoric diester hydrolase (EC 3.1.4.*).
ChEBI Ontology
Outgoing Relation(s)
(2S,3R)-EHNA (CHEBI:63059) is a EHNA (CHEBI:63057)
(2S,3R)-EHNA (CHEBI:63059) is enantiomer of (2R,3S)-EHNA (CHEBI:63058)
Incoming Relation(s)
(2R,3S)-EHNA (CHEBI:63058) is enantiomer of (2S,3R)-EHNA (CHEBI:63059)
IUPAC Name 
(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-2-ol
Synonym  Source
(S,R)-6-amino-β-hexyl-α-methyl-9H-purine-9-ethanolIUPAC
Manual XrefsDatabases
EH9PDBeChem
Citations