CHEBI:64139 - (2R,3S)-EHNA hydrochloride

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ChEBI Name (2R,3S)-EHNA hydrochloride
ChEBI ID CHEBI:64139
ChEBI ASCII Name (2R,3S)-EHNA hydrochloride
Definition A hydrochloride salt obtained by reaction of (2R,3S)-EHNA with one equivalent of hydrochloric acid. Selective inhibitor of cGMP-stimulated phosphodiesterase (PDE2) (IC50 = 0.8 - 4 mM). Also a potent inhibitor of adenosine deaminase.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C14H24ClN5O
Net Charge 0
Average Mass 313.82600
Monoisotopic Mass 313.16694
InChI InChI=1S/C14H23N5O.ClH/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);1H/t10-,11+;/m1./s1
InChIKey VVDXNJRUNJMYOZ-DHXVBOOMSA-N
SMILES Cl.CCCCCC[C@@H]([C@@H](C)O)n1cnc2c(N)ncnc12
Roles Classification
Biological Role(s): 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.*).
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).
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ChEBI Ontology
Outgoing (2R,3S)-EHNA hydrochloride (CHEBI:64139) has part (2R,3S)-EHNA(1+) (CHEBI:64140)
(2R,3S)-EHNA hydrochloride (CHEBI:64139) has role EC 3.1.4.* (phosphoric diester hydrolase) inhibitor (CHEBI:50218)
(2R,3S)-EHNA hydrochloride (CHEBI:64139) has role EC 3.5.4.4 (adenosine deaminase) inhibitor (CHEBI:50445)
(2R,3S)-EHNA hydrochloride (CHEBI:64139) is a hydrochloride (CHEBI:36807)
IUPAC Name
(2R,3S)-3-(6-amino-9H-purin-9-yl)nonan-2-ol hydrochloride
Synonyms Sources
(2R,3S)-3-(adenin-9-yl)-2-nonanol hydrochloride ChEBI
(2R,3S)-9-(2-hydroxy-3-nonyl)adenine hydrochloride ChEBI
(2R,3S)-EHNA.HCl ChEBI
(R,S)-6-amino-β-hexyl-α-methyl-9H-purine-9-ethanol hydrochloride ChEBI
erythro-9-(2-hydroxy-3-nonyl)adenine hydrochloride ChEBI
Registry Number Type Source
4729841 Reaxys Registry Number Reaxys
Last Modified
09 March 2012