CHEBI:2877 - aspartame

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ChEBI Name aspartame
ChEBI ID CHEBI:2877
Definition A dipeptide composed of methyl L-phenylalaninate and L-aspartic acid joined by a peptide linkage.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C14H18N2O5
Net Charge 0
Average Mass 294.30320
Monoisotopic Mass 294.122
InChI InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1
InChIKey IAOZJIPTCAWIRG-QWRGUYRKSA-N
SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(O)=O
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): sweetening agent
Substance that sweeten food, beverages, medications, etc.
micronutrient

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.
nutraceutical
A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing aspartame (CHEBI:2877) has functional parent L-aspartic acid (CHEBI:17053)
aspartame (CHEBI:2877) has functional parent methyl L-phenylalaninate (CHEBI:49339)
aspartame (CHEBI:2877) has role environmental contaminant (CHEBI:78298)
aspartame (CHEBI:2877) has role micronutrient (CHEBI:27027)
aspartame (CHEBI:2877) has role nutraceutical (CHEBI:50733)
aspartame (CHEBI:2877) has role sweetening agent (CHEBI:50505)
aspartame (CHEBI:2877) has role xenobiotic (CHEBI:35703)
aspartame (CHEBI:2877) is a carboxylic acid (CHEBI:33575)
aspartame (CHEBI:2877) is a dipeptide (CHEBI:46761)
aspartame (CHEBI:2877) is a methyl ester (CHEBI:25248)
IUPAC Name
methyl L-α-aspartyl-L-phenylalaninate
INNs Sources
aspartam WHO MedNet
aspartame UniProt
aspartamo WHO MedNet
aspartamum WHO MedNet
Synonyms Sources
1-methyl N-L-α-aspartyl-L-phenylalanate ChemIDplus
3-Amino-N-(α-carboxyphenethyl)succinamic acid N-methyl ester ChemIDplus
3-Amino-N-(α-methoxycarbonylphenethyl) succinamic acid ChemIDplus
Asp-phe-ome ChemIDplus
Aspartame KEGG COMPOUND
Aspartylphenylalanine methyl ester ChemIDplus
L-Aspartyl-L-phenylalanine methyl ester ChemIDplus
Database Links Databases
Aspartame Wikipedia
C11045 KEGG COMPOUND
CPD-5583 MetaCyc
D02381 KEGG DRUG
DB00168 DrugBank
HMDB01894 HMDB
PME PDBeChem
US3492131 Patent
View more database links
Registry Numbers Types Sources
2223850 Reaxys Registry Number Reaxys
2223850 Beilstein Registry Number Beilstein
22839-47-0 CAS Registry Number KEGG COMPOUND
22839-47-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
24355796 PubMed citation Europe PMC
24925367 PubMed citation Europe PMC
24965331 PubMed citation Europe PMC
25786106 PubMed citation Europe PMC
25951455 PubMed citation Europe PMC
Last Modified
23 October 2015
General Comment
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag