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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:141446 - Thr-Ile
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ChEBI Ontology
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ChEBI Name
Thr-Ile
ChEBI ID
CHEBI:141446
Definition
A dipeptide obtained by formal condensation of the carboxy group of
L
-threonine with the amino group of
L
-isoleucine.
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)
8(10(15)
16)
12-
9(14)
7(11)
6(3)
13/h5-
8,13H,4,11H2,1-
3H3,(H,12,14)
(H,15,16)
/t5-
,6+,7-
,8-
/m0/s1
InChIKey
LUMXICQAOKVQOB-YWIQKCBGSA-N
SMILES
C(=O)([C@@H](N)[C@H](O)C)N[C@H](C(=O)O)[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
Thr-Ile (
CHEBI:141446
)
has functional parent
L
-isoleucine (
CHEBI:17191
)
Thr-Ile (
CHEBI:141446
)
has functional parent
L
-threonine (
CHEBI:16857
)
Thr-Ile (
CHEBI:141446
)
is a
dipeptide (
CHEBI:46761
)
IUPAC Name
L
-threonyl-
L
-isoleucine
Synonyms
Sources
(2
S
,3
S
)-
2-
{[(2
S
,3
R
)-
2-
amino-
3-
hydroxybutanoyl]amino}-
3-
methylpentanoic acid
IUPAC
T-I
SUBMITTER
T-I dipeptide
HMDB
threonine isoleucine dipeptide
HMDB
threonylisoleucine
SUBMITTER
TI
SUBMITTER
TI dipeptide
HMDB
Manual Xref
Database
HMDB0029064
HMDB
View more database links
Registry Number
Type
Source
27312736
Reaxys Registry Number
Reaxys
Citation
Type
Source
28351802
PubMed citation
Europe PMC
Last Modified
11 October 2018