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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:141448 - Trp-Ile
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ChEBI Ontology
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ChEBI Name
Trp-Ile
ChEBI ID
CHEBI:141448
Definition
A dipeptide obtained by formal condensation of the carboxy group of
L
-tryptophan 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
C17H23N3O3
Net Charge
0
Average Mass
317.383
Monoisotopic Mass
317.17394
InChI
InChI=1S/C17H23N3O3/c1-
3-
10(2)
15(17(22)
23)
20-
16(21)
13(18)
8-
11-
9-
19-
14-
7-
5-
4-
6-
12(11)
14/h4-
7,9-
10,13,15,19H,3,8,18H2,1-
2H3,(H,20,21)
(H,22,23)
/t10-
,13-
,15-
/m0/s1
InChIKey
PITVQFJBUFDJDD-XEGUGMAKSA-N
SMILES
C(=O)([C@@H](N)CC1=CNC2=C1C=CC=C2)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
Trp-Ile (
CHEBI:141448
)
has functional parent
L
-isoleucine (
CHEBI:17191
)
Trp-Ile (
CHEBI:141448
)
has functional parent
L
-tryptophan (
CHEBI:16828
)
Trp-Ile (
CHEBI:141448
)
is a
dipeptide (
CHEBI:46761
)
IUPAC Name
L
-tryptophyl-
L
-isoleucine
Synonyms
Sources
(2
S
,3
S
)-
2-
{[(2
S
)-
2-
amino-
3-
(1
H
-
indol-
3-
yl)propanoyl]amino}-
3-
methylpentanoic acid
IUPAC
tryptophan isoleucine dipeptide
HMDB
tryptophylisoleucine
SUBMITTER
W-I
SUBMITTER
W-I dipeptide
HMDB
WI
SUBMITTER
WI dipeptide
HMDB
Manual Xref
Database
HMDB0029086
HMDB
View more database links
Registry Numbers
Types
Sources
15760009
Reaxys Registry Number
Reaxys
64339-42-0
CAS Registry Number
ChemIDplus
Citation
Type
Source
25466098
PubMed citation
Europe PMC
Last Modified
11 October 2018