Alitame (CHEBI:184021)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Alitame

ChEBI ID	CHEBI:184021

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H25N3O4S

Net Charge

Average Mass

331.430

Monoisotopic Mass

331.15658

InChI

InChI=1S/C14H25N3O4S/c1-7(16-11(21)8(15)6-9(18)19)10(20)17-12-13(2,3)22-14(12,4)5/h7-8,12H,6,15H2,1-5H3,(H,16,21)(H,17,20)(H,18,19)/t7-,8+/m1/s1

InChIKey

IVBOUFAWPCPFTQ-SFYZADRCSA-N

SMILES

S1C(C(NC(=O)[C@H](NC(=O)[C@@H](N)CC(O)=O)C)C1(C)C)(C)C

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in small intestine (BTO:0000651). of strain C57BL/6 Mouse [THESAURUS.OWL#C14424] See: MetaboLights Study
Nippostrongylus brasiliensis (NCBI:txid27835)	Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study

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

ChEBI Ontology
Outgoing	Alitame (CHEBI:184021) is a dipeptide (CHEBI:46761)

IUPAC Name

(3S)-3-amino-4-oxo-4-[[(2R)-1-oxo-1-[(2,2,4,4-tetramethylthietan-3-yl)amino]propan-2-yl]amino]butanoic acid