CHEBI:83503 - neotame

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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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Formula C20H30N2O5
Net Charge 0
Average Mass 378.46260
Monoisotopic Mass 378.215
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 (Bronsted 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
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Registry Numbers Types Sources
165450-17-9 CAS Registry Number ChemIDplus
8352678 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
23595253 PubMed citation Europe PMC
24612793 PubMed citation Europe PMC
25216979 PubMed citation Europe PMC
Last Modified
19 January 2015