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CHEBI:161381 - Cys-His-Ala

ChEBI IDCHEBI:161381
ChEBI NameCys-His-Ala
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H19N5O4S
Net Charge0
Average Mass329.382
Monoisotopic Mass329.11578
SMILESC[C@H](NC(=O)[C@H](Cc1cncn1)NC(=O)[C@@H](N)CS)C(=O)O
InChIInChI=1S/C12H19N5O4S/c1-6(12(20)21)16-11(19)9(2-7-3-14-5-15-7)17-10(18)8(13)4-22/h3,5-6,8-9,22H,2,4,13H2,1H3,(H,14,15)(H,16,19)(H,17,18)(H,20,21)/t6-,8-,9-/m0/s1
InChIKeyXVLMKWWVBNESPX-XVYDVKMFSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cys-His-Ala (CHEBI:161381) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoic acid