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CHEBI:83503 - neotame

ChEBI IDCHEBI:83503
ChEBI Nameneotame
Stars
DefinitionA dipeptide composed of N-(3,3-dimethylbutyl)-L-aspartic acid and methyl L-phenylalanate units joined by a peptide linkage.
Last Modified19 January 2015
DownloadsMolfile
FormulaC20H30N2O5
Net Charge0
Average Mass378.469
Monoisotopic Mass378.21547
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NCCC(C)(C)C
InChIInChI=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
InChIKeyHLIAVLHNDJUHFG-HOTGVXAUSA-N
Wikipedia
Roles Classification
Chemical Roles:
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 (Brønsted acid).
Biological Roles:
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:
sweetening agent  Substance that sweeten food, beverages, medications, etc.
ChEBI Ontology
Outgoing Relation(s)
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 esterChEBI
Manual XrefsDatabases
NeotameWikipedia
HMDB0034566HMDB
Registry NumbersSources
Reaxys:8352678Reaxys
CAS:165450-17-9ChemIDplus
Citations