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> Main
CHEBI:142268 -
N
-malonyltryptophan
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ChEBI Name
N
-malonyltryptophan
ChEBI ID
CHEBI:142268
ChEBI ASCII Name
N-malonyltryptophan
Definition
A tryptophan derivative resulting from the formal condensation of the α-amino group of tryptophan with malonic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Mark Williams
Supplier Information
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Formula
C14H14N2O5
Net Charge
0
Average Mass
290.272
Monoisotopic Mass
290.09027
InChI
InChI=1S/C14H14N2O5/c17-
12(6-
13(18)
19)
16-
11(14(20)
21)
5-
8-
7-
15-
10-
4-
2-
1-
3-
9(8)
10/h1-
4,7,11,15H,5-
6H2,(H,16,17)
(H,18,19)
(H,20,21)
InChIKey
OVEAWSPZRGBTSS-UHFFFAOYSA-N
SMILES
C=12C=CC=CC1NC=C2CC(NC(CC(=O)O)=O)C(O)=O
Roles Classification
Chemical Role
(s):
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
N
-malonyltryptophan (
CHEBI:142268
)
has functional parent
malonic acid (
CHEBI:30794
)
N
-malonyltryptophan (
CHEBI:142268
)
is a
dicarboxylic acid (
CHEBI:35692
)
N
-malonyltryptophan (
CHEBI:142268
)
is a
secondary carboxamide (
CHEBI:140325
)
N
-malonyltryptophan (
CHEBI:142268
)
is a
tryptophan derivative (
CHEBI:27164
)
IUPAC Name
N
-(carboxyacetyl)tryptophan
Synonyms
Sources
2-(2-carboxyacetamido)-3-(1
H
-indol-3-yl)propanoic acid
ChEBI
N
-malonyl-tryptophan
ChEBI
N
-malonyltryptophan
KNApSAcK
Manual Xrefs
Databases
C00000118
KNApSAcK
FDB019107
FooDB
HMDB0039500
HMDB
View more database links
Registry Numbers
Types
Sources
29399-11-9
CAS Registry Number
KNApSAcK
29399-11-9
CAS Registry Number
HMDB
5353719
Reaxys Registry Number
Reaxys
Citation
Type
Source
21958116
PubMed citation
Europe PMC
Last Modified
28 September 2018