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ChEBI
> Main
CHEBI:83503 - neotame
Main
ChEBI Ontology
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ChEBI Name
neotame
ChEBI ID
CHEBI:83503
Definition
A dipeptide composed of
N
-(3,3-dimethylbutyl)-
L
-aspartic acid and methyl
L
-phenylalanate units joined by a peptide linkage.
Stars
This entity has been manually annotated by the ChEBI Team.
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Read full article at Wikipedia
Formula
C20H30N2O5
Net Charge
0
Average Mass
378.46260
Monoisotopic Mass
378.21547
InChI
InChI=1S/C20H30N2O5/c1-
20(2,3)
10-
11-
21-
15(13-
17(23)
24)
18(25)
22-
16(19(26)
27-
4)
12-
14-
8-
6-
5-
7-
9-
14/h5-
9,15-
16,21H,10-
13H2,1-
4H3,(H,22,25)
(H,23,24)
/t15-
,16-
/m0/s1
InChIKey
HLIAVLHNDJUHFG-HOTGVXAUSA-N
SMILES
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NCCC(C)(C)C
Roles Classification
Chemical Role
(s):
environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Biological Role
(s):
sweetening agent
Substance that sweeten food, beverages, medications, etc.
xenobiotic
A xenobiotic (Greek,
xenos
"foreign";
bios
"life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
Application
(s):
sweetening agent
Substance that sweeten food, beverages, medications, etc.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
neotame (
CHEBI:83503
)
has role
environmental contaminant (
CHEBI:78298
)
neotame (
CHEBI:83503
)
has role
sweetening agent (
CHEBI:50505
)
neotame (
CHEBI:83503
)
has role
xenobiotic (
CHEBI:35703
)
neotame (
CHEBI:83503
)
is a
dipeptide (
CHEBI:46761
)
IUPAC Name
methyl
N
-
(3,3-
dimethylbutyl)-
L
-
α-
aspartyl-
L
-
phenylalaninate
Synonym
Source
N
-
[
N
-
(3,3-
dimethylbutyl)-
L
-
α-
aspartyl]-
L
-
phenylalanine methyl ester
ChEBI
Manual Xrefs
Databases
HMDB0034566
HMDB
Neotame
Wikipedia
View more database links
Registry Numbers
Types
Sources
165450-17-9
CAS Registry Number
ChemIDplus
8352678
Reaxys Registry Number
Reaxys
Citations
Types
Sources
23595253
PubMed citation
Europe PMC
24612793
PubMed citation
Europe PMC
25216979
PubMed citation
Europe PMC
Last Modified
19 January 2015