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> Main
CHEBI:61224 - benzylpenillamine
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ChEBI Name
benzylpenillamine
ChEBI ID
CHEBI:61224
Definition
A monocarboxylic acid that is
D
-penicillamine in which the amino group has been replaced by a consisting 2-benzyl-1
H
-imidazol-1-yl moiety.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C15H18N2O2S
Net Charge
0
Average Mass
290.38100
Monoisotopic Mass
290.10890
InChI
InChI=1S/C15H18N2O2S/c1-
15(2,20)
13(14(18)
19)
17-
9-
8-
16-
12(17)
10-
11-
6-
4-
3-
5-
7-
11/h3-
9,13,20H,10H2,1-
2H3,(H,18,19)
/t13-
/m0/s1
InChIKey
GKKMZZILRVHLJN-ZDUSSCGKSA-N
SMILES
CC(C)(S)[C@H](C(O)=O)n1ccnc1Cc1ccccc1
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
benzylpenillamine (
CHEBI:61224
)
has functional parent
D
-penicillamine (
CHEBI:7959
)
benzylpenillamine (
CHEBI:61224
)
is a
imidazoles (
CHEBI:24780
)
benzylpenillamine (
CHEBI:61224
)
is a
monocarboxylic acid (
CHEBI:25384
)
benzylpenillamine (
CHEBI:61224
)
is a
non-proteinogenic α-amino acid (
CHEBI:83925
)
benzylpenillamine (
CHEBI:61224
)
is a
thiol (
CHEBI:29256
)
IUPAC Name
(2
S
)-2-(2-benzyl-1
H
-imidazol-1-yl)-3-methyl-3-sulfanylbutanoic acid
Synonym
Source
D
-benzylpenillamine
ChEBI
Registry Number
Type
Source
87115
Reaxys Registry Number
Reaxys
Citation
Type
Source
13761469
PubMed citation
Europe PMC
Last Modified
09 February 2017