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CHEBI:229599 - trofinetide

Default Structure
ChEBI IDCHEBI:229599
ChEBI Nametrofinetide
Stars
DefinitionA tripeptide comprising of glycine, 2-methyl-L-proline, and L-glutamic acid joined in sequence by peptide linkages. It is the first and only treatment approved by the FDA specifically indicated for Rett syndrome in adults and pediatric patients two years of age and older.
Last Modified16 April 2024
SubmitterAdnan
DownloadsMolfile
FormulaC13H21N3O6
Net Charge0
Average Mass315.326
Monoisotopic Mass315.14304
SMILESC[C@@]1(C(=O)N[C@@H](CCC(=O)O)C(=O)O)CCCN1C(=O)CN
InChIInChI=1S/C13H21N3O6/c1-13(5-2-6-16(13)9(17)7-14)12(22)15-8(11(20)21)3-4-10(18)19/h8H,2-7,14H2,1H3,(H,15,22)(H,18,19)(H,20,21)/t8-,13-/m0/s1
InChIKeyBUSXWGRAOZQTEY-SDBXPKJASA-N
Wikipedia
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Applications:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
neuroprotective agent  Any compound that can be used for the treatment of neurodegenerative disorders.
ChEBI Ontology
Outgoing Relation(s)
trofinetide (CHEBI:229599) has functional parent L-glutamic acid (CHEBI:16015)
trofinetide (CHEBI:229599) has functional parent glycine (CHEBI:15428)
trofinetide (CHEBI:229599) has role anti-inflammatory agent (CHEBI:67079)
trofinetide (CHEBI:229599) has role neuroprotective agent (CHEBI:63726)
trofinetide (CHEBI:229599) is a dicarboxylic acid (CHEBI:35692)
trofinetide (CHEBI:229599) is a primary amino compound (CHEBI:50994)
trofinetide (CHEBI:229599) is a pyrrolidinecarboxamide (CHEBI:46770)
trofinetide (CHEBI:229599) is a secondary carboxamide (CHEBI:140325)
trofinetide (CHEBI:229599) is a tertiary carboxamide (CHEBI:140326)
trofinetide (CHEBI:229599) is a tripeptide (CHEBI:47923)
IUPAC Name 
glycyl-2-methyl-L-prolyl-L-glutamic acid
INNs  Source
trofinetidaWHO MedNet
trofinetideWHO MedNet
trofinétideWHO MedNet
trofinetidumWHO MedNet
Synonyms  Source
(2S)-2-{[(2S)-1-(2-aminoacetyl)-2-methylpyrrolidine-2-carbonyl]amino}pentanedioic acidChEBI
(2S)-2-({[(2S)-1-(aminoacetyl)-2-methylpyrrolidin-2-yl]carbonyl}amino)pentanedioic acidIUPAC
NNZ 2566ChEBI
NNZ-2566SUBMITTER
NNZ2566ChEBI
Brand Name  Source
DaybueKEGG DRUG
Manual XrefsDatabases
D12400KEGG DRUG
DB06045DrugBank
TrofinetideWikipedia
Registry NumbersSources
CAS:853400-76-7KEGG DRUG
Citations