trofinetide (CHEBI:229599)

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ChEBI Name	trofinetide

ChEBI ID	CHEBI:229599

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	test_subs test_subs

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Formula

C13H21N3O6

Net Charge

Average Mass

315.326

Monoisotopic Mass

315.14304

InChI

InChI=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

InChIKey

BUSXWGRAOZQTEY-SDBXPKJASA-N

SMILES

C[C@]1(CCCN1C(=O)CN)C(=O)N[C@@H](CCC(O)=O)C(O)=O

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Application(s):	neuroprotective agent Any compound that can be used for the treatment of neurodegenerative disorders. anti-inflammatory agent Any compound that has anti-inflammatory effects.

ChEBI Ontology
Outgoing	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

Synonyms	Sources
(2S)-2-({[(2S)-1-(aminoacetyl)-2-methylpyrrolidin-2-yl]carbonyl}amino)pentanedioic acid	IUPAC
(2S)-2-{[(2S)-1-(2-aminoacetyl)-2-methylpyrrolidine-2-carbonyl]amino}pentanedioic acid	ChEBI
NNZ 2566	ChEBI
NNZ-2566	SUBMITTER
NNZ2566	ChEBI

Brand Name	Source
Daybue	KEGG DRUG

Registry Number	Type	Source
853400-76-7	CAS Registry Number	KEGG DRUG

Last Modified

16 April 2024