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ChEBI
> Main
CHEBI:72703 - Boc-DON-Gln-Ile-Val-OMe
Main
ChEBI Ontology
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ChEBI Name
Boc-DON-Gln-Ile-Val-OMe
ChEBI ID
CHEBI:72703
Definition
A tetrapeptide comprising
N
-(
tert
-butoxycarbonyl)-6-diazo-5-oxo-
L
-norleucyl,
L
-glutaminyl,
L
-isoleucyl and methyl
L
-valinate residues coupled in sequence.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Sandra Orchard
Supplier Information
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Formula
C28H47N7O9
Net Charge
0
Average Mass
625.71430
Monoisotopic Mass
625.34353
InChI
InChI=1S/C28H47N7O9/c1-
9-
16(4)
22(25(40)
34-
21(15(2)
3)
26(41)
43-
8)
35-
24(39)
18(12-
13-
20(29)
37)
32-
23(38)
19(11-
10-
17(36)
14-
31-
30)
33-
27(42)
44-
28(5,6)
7/h14-
16,18-
19,21-
22H,9-
13H2,1-
8H3,(H2,29,37)
(H,32,38)
(H,33,42)
(H,34,40)
(H,35,39)
/t16-
,18-
,19-
,21-
,22-
/m0/s1
InChIKey
PZEJVHJJSBKTSS-ITJSPEIASA-N
SMILES
CC[C@H]
(C)
[C@H]
(NC(=O)
[C@H]
(CCC(N)
=O)
NC(=O)
[C@H]
(CCC(=O)
C=[N+]
=[N-
]
)
NC(=O)
OC(C)
(C)
C)
C(=O)
N[C@@H]
(C(C)
C)
C(=O)
OC
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
)
Biological Role
(s):
EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor
An EC 2.3.2.* (aminoacyltransferase) inhibitor that interferes with the action of protein-glutamine
gamma
-glutamyltransferase (EC 2.3.2.13).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Boc-DON-Gln-Ile-Val-OMe (
CHEBI:72703
)
has role
EC 2.3.2.13 (protein-glutamine γ-glutamyltransferase) inhibitor (
CHEBI:72716
)
Boc-DON-Gln-Ile-Val-OMe (
CHEBI:72703
)
is a
carbamate ester (
CHEBI:23003
)
Boc-DON-Gln-Ile-Val-OMe (
CHEBI:72703
)
is a
diazo compound (
CHEBI:39444
)
Boc-DON-Gln-Ile-Val-OMe (
CHEBI:72703
)
is a
methyl ester (
CHEBI:25248
)
Boc-DON-Gln-Ile-Val-OMe (
CHEBI:72703
)
is a
tetrapeptide (
CHEBI:48030
)
IUPAC Name
methyl
N
-
(
tert
-
butoxycarbonyl)-
6-
diazo-
5-
oxo-
L
-
norleucyl-
L
-
glutaminyl-
L
-
isoleucyl-
L
-
valinate
Synonyms
Sources
Boc-Don
ChEBI
BOC-DON-QIV-OMe
ChEBI
Boc-
L
-DON-
L
-Gln-
L
-Ile-
L
-Val-OMe
ChEBI
Registry Number
Type
Source
22280277
Reaxys Registry Number
Reaxys
Citations
Types
Sources
18202319
PubMed citation
Europe PMC
19353617
PubMed citation
Europe PMC
22442151
PubMed citation
SUBMITTER
Last Modified
03 March 2015