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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:141421 - Asn-Ile
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ChEBI Ontology
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ChEBI Name
Asn-Ile
ChEBI ID
CHEBI:141421
Definition
A dipeptide obtained by formal condensation of the carboxy group of
L
-asparagine with the amino group of
L
-isoleucine.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Mark Williams
Supplier Information
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Formula
C10H19N3O4
Net Charge
0
Average Mass
245.276
Monoisotopic Mass
245.13756
InChI
InChI=1S/C10H19N3O4/c1-
3-
5(2)
8(10(16)
17)
13-
9(15)
6(11)
4-
7(12)
14/h5-
6,8H,3-
4,11H2,1-
2H3,(H2,12,14)
(H,13,15)
(H,16,17)
/t5-
,6-
,8-
/m0/s1
InChIKey
MQLZLIYPFDIDMZ-HAFWLYHUSA-N
SMILES
C(=O)([C@@H](N)CC(=O)N)N[C@H](C(=O)O)[C@H](CC)C
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
)
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Asn-Ile (
CHEBI:141421
)
has functional parent
L
-asparagine (
CHEBI:17196
)
Asn-Ile (
CHEBI:141421
)
has functional parent
L
-isoleucine (
CHEBI:17191
)
Asn-Ile (
CHEBI:141421
)
is a
carboxylic acid (
CHEBI:33575
)
Asn-Ile (
CHEBI:141421
)
is a
dipeptide (
CHEBI:46761
)
Asn-Ile (
CHEBI:141421
)
is a
primary amino compound (
CHEBI:50994
)
Asn-Ile (
CHEBI:141421
)
is a
primary carboxamide (
CHEBI:140324
)
Asn-Ile (
CHEBI:141421
)
is a
secondary carboxamide (
CHEBI:140325
)
IUPAC Name
L
-asparaginyl-
L
-isoleucine
Synonyms
Sources
(2
S
,3
S
)-2-{[(2
S
)-2,4-diamino-4-oxobutanoyl]amino}-3-methylpentanoic acid
IUPAC
asparagine isoleucine dipeptide
HMDB
asparagine-isoleucine dipeptide
HMDB
asparaginyl-isoleucine
HMDB
asparaginylisoleucine
SUBMITTER
H-
L
-Asn-
L
-Ile-OH
ChEBI
L
-Asn-
L
-Ile
ChEBI
N-I
SUBMITTER
N-I dipeptide
HMDB
NI
SUBMITTER
NI dipeptide
HMDB
Manual Xrefs
Databases
EP2161029
Patent
HMDB0028734
HMDB
View more database links
Registry Number
Type
Source
27312733
Reaxys Registry Number
Reaxys
Last Modified
10 October 2018