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CHEBI:184021 - Alitame

ChEBI IDCHEBI:184021
ChEBI NameAlitame
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H25N3O4S
Net Charge0
Average Mass331.438
Monoisotopic Mass331.15658
SMILESC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)NC1C(C)(C)SC1(C)C
InChIInChI=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
InChIKeyIVBOUFAWPCPFTQ-SFYZADRCSA-N
Species of MetaboliteComponentSourceComments
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
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
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58297ChemSpider