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CHEBI:160285 - Asp-Ala-Cys

Default Structure
ChEBI IDCHEBI:160285
ChEBI NameAsp-Ala-Cys
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H17N3O6S
Net Charge0
Average Mass307.328
Monoisotopic Mass307.08381
SMILESC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CS)C(=O)O
InChIInChI=1S/C10H17N3O6S/c1-4(8(16)13-6(3-20)10(18)19)12-9(17)5(11)2-7(14)15/h4-6,20H,2-3,11H2,1H3,(H,12,17)(H,13,16)(H,14,15)(H,18,19)/t4-,5-,6-/m0/s1
InChIKeyGBAWQWASNGUNQF-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)
Asp-Ala-Cys (CHEBI:160285) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-1-[[(1R)-1-carboxy-2-sulanylethyl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid