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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:63058 - (2
R
,3
S
)-EHNA
Main
ChEBI Ontology
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ChEBI Name
(2
R
,3
S
)-EHNA
ChEBI ID
CHEBI:63058
ChEBI ASCII Name
(2R,3S)-EHNA
Definition
EHNA of absolute configuration 2
R
,3
S
. Selective inhibitor of cGMP-stimulated phosphodiesterase (PDE
2
) (IC
50
= 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
C14H23N5O
Net Charge
0
Average Mass
277.36530
Monoisotopic Mass
277.19026
InChI
InChI=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+/m1/s1
InChIKey
IOSAAWHGJUZBOG-MNOVXSKESA-N
SMILES
CCCCCC[C@@H]([C@@H](C)O)n1cnc2c(N)ncnc12
Roles Classification
Biological Role
(s):
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).
(via
EHNA
)
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.*).
(via
EHNA
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(2
R
,3
S
)-EHNA (
CHEBI:63058
)
has role
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor (
CHEBI:50218
)
(2
R
,3
S
)-EHNA (
CHEBI:63058
)
has role
EC 3.5.4.4 (adenosine deaminase) inhibitor (
CHEBI:50445
)
(2
R
,3
S
)-EHNA (
CHEBI:63058
)
is a
EHNA (
CHEBI:63057
)
(2
R
,3
S
)-EHNA (
CHEBI:63058
)
is conjugate base of
(2
R
,3
S
)-EHNA(1+) (
CHEBI:64140
)
(2
R
,3
S
)-EHNA (
CHEBI:63058
)
is enantiomer of
(2
S
,3
R
)-EHNA (
CHEBI:63059
)
Incoming
(2
R
,3
S
)-EHNA(1+) (
CHEBI:64140
)
is conjugate acid of
(2
R
,3
S
)-EHNA (
CHEBI:63058
)
(2
S
,3
R
)-EHNA (
CHEBI:63059
)
is enantiomer of
(2
R
,3
S
)-EHNA (
CHEBI:63058
)
IUPAC Name
(2
R
,3
S
)-3-(6-amino-9
H
-purin-9-yl)nonan-2-ol
Synonyms
Sources
(2
R
,3
S
)-3-(adenin-9-yl)-2-nonanol
ChEBI
(2
R
,3
S
)-9-(2-hydroxy-3-nonyl)adenine
ChEBI
(
R
,
S
)-6-amino-β-hexyl-α-methyl-9
H
-purine-9-ethanol
ChEBI
Manual Xref
Database
LSM-2600
LINCS
View more database links
Last Modified
25 February 2016