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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:141441 - Ile-Thr
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ChEBI Ontology
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ChEBI Name
Ile-Thr
ChEBI ID
CHEBI:141441
Definition
A dipeptide obtained by formal condensation of the carboxy group of
L
-isoleucine with the amino group of
L
-threonine.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Mark Williams
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Formula
C10H20N2O4
Net Charge
0
Average Mass
232.277
Monoisotopic Mass
232.14231
InChI
InChI=1S/C10H20N2O4/c1-
4-
5(2)
7(11)
9(14)
12-
8(6(3)
13)
10(15)
16/h5-
8,13H,4,11H2,1-
3H3,(H,12,14)
(H,15,16)
/t5-
,6+,7-
,8-
/m0/s1
InChIKey
DRCKHKZYDLJYFQ-YWIQKCBGSA-N
SMILES
N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)[C@@H](C)CC
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
Ile-Thr (
CHEBI:141441
)
has functional parent
L
-isoleucine (
CHEBI:17191
)
Ile-Thr (
CHEBI:141441
)
has functional parent
L
-threonine (
CHEBI:16857
)
Ile-Thr (
CHEBI:141441
)
is a
dipeptide (
CHEBI:46761
)
IUPAC Name
L
-isoleucyl-
L
-threonine
Synonyms
Sources
(2
S
,3
R
)-
2-
{[(2
S
,3
S
)-
2-
amino-
3-
methylpentanoyl]amino}-
3-
hydroxybutanoic acid
IUPAC
I-T
SUBMITTER
I-T dipeptide
HMDB
isoleucine threonine dipeptide
HMDB
isoleucylthreonine
SUBMITTER
IT
SUBMITTER
IT dipeptide
HMDB
Manual Xrefs
Databases
EP2161029
Patent
HMDB0028917
HMDB
View more database links
Registry Number
Type
Source
27312738
Reaxys Registry Number
Reaxys
Last Modified
10 October 2018