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CHEBI:158028 - Ala-Asp-Cys

ChEBI IDCHEBI:158028
ChEBI NameAla-Asp-Cys
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Last Modified20 March 2025
SubmitterMetaboLights
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FormulaC10H17N3O6S
Net Charge0
Average Mass307.328
Monoisotopic Mass307.08381
SMILESC[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)O
InChIInChI=1S/C10H17N3O6S/c1-4(11)8(16)12-5(2-7(14)15)9(17)13-6(3-20)10(18)19/h4-6,20H,2-3,11H2,1H3,(H,12,16)(H,13,17)(H,14,15)(H,18,19)/t4-,5-,6-/m0/s1
InChIKeyWQVYAWIMAWTGMW-ZLUOBGJFSA-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-Asp-Cys (CHEBI:158028) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-[[(2S)-2-aminopropanoyl]amino]-4-[[(1R)-1-carboxy-2-sulanylethyl]amino]-4-oxobutanoic acid