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CHEBI:158068 - Ala-Cys-His

ChEBI IDCHEBI:158068
ChEBI NameAla-Cys-His
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H19N5O4S
Net Charge0
Average Mass329.382
Monoisotopic Mass329.11578
SMILESC[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1cncn1)C(=O)O
InChIInChI=1S/C12H19N5O4S/c1-6(13)10(18)17-9(4-22)11(19)16-8(12(20)21)2-7-3-14-5-15-7/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
InChIKeyHWPXGQCMZITGFN-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)
Ala-Cys-His (CHEBI:158068) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-sulanylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid