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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:72491 -
N
α
,
N
τ
-
(Dnp)
2
-
His-
Gln
Main
ChEBI Ontology
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ChEBI Name
N
α
,
N
τ
-
(Dnp)
2
-
His-
Gln
ChEBI ID
CHEBI:72491
ChEBI ASCII Name
N(alpha),N(tele)-(Dnp)2-His-Gln
Definition
A dipeptide consisting of
L
-histidine substituted on the α and τ (
tele
) nitrogens by 2,4-dinitrophenyl groups and connected to
L
-glutamine via a peptide bond.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C23H21N9O12
Net Charge
0
Average Mass
615.46590
Monoisotopic Mass
615.13097
InChI
InChI=1S/C23H21N9O12/c24-
21(33)
6-
4-
16(23(35)
36)
27-
22(34)
17(26-
15-
3-
1-
13(29(37)
38)
8-
19(15)
31(41)
42)
7-
12-
10-
28(11-
25-
12)
18-
5-
2-
14(30(39)
40)
9-
20(18)
32(43)
44/h1-
3,5,8-
11,16-
17,26H,4,6-
7H2,(H2,24,33)
(H,27,34)
(H,35,36)
/t16-
,17-
/m0/s1
InChIKey
SJTGULKHYWGWDC-IRXDYDNUSA-N
SMILES
NC(=O)
CC[C@H]
(NC(=O)
[C@H]
(Cc1cn(cn1)
-
c1ccc(cc1[N+]
([O-
]
)
=O)
[N+]
([O-
]
)
=O)
Nc1ccc(cc1[N+]
([O-
]
)
=O)
[N+]
([O-
]
)
=O)
C(O)
=O
Roles Classification
Chemical Role
(s):
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
N
α
,
N
τ
-
(Dnp)
2
-
His-
Gln (
CHEBI:72491
)
has part
2,4-dinitrophenyl group (
CHEBI:53018
)
N
α
,
N
τ
-
(Dnp)
2
-
His-
Gln (
CHEBI:72491
)
is a
dipeptide (
CHEBI:46761
)
IUPAC Name
N
α
,
N
τ
-
bis(2,4-
dinitrophenyl)-
L
-
histidyl-
L
-
glutamine
Synonyms
Sources
1,
N
-bis(2,4-dinitrophenyl)-
L
-histidyl-
L
-glutamine
ChEBI
DNP
2
-His
Note: (2013-02-21) This synonym, used in PMID:22877585, does not indicate the presence of the glutamine residue.
ChEBI
N
,1-bis(2,4-dinitrophenyl)-
L
-histidyl-
L
-glutamine
ChEBI
Citation
Type
Source
22877585
PubMed citation
Europe PMC
Last Modified
21 February 2013