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CHEBI:160461 - Asp-Cys-Met

ChEBI IDCHEBI:160461
ChEBI NameAsp-Cys-Met
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Last Modified20 March 2025
SubmitterMetaboLights
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FormulaC12H21N3O6S2
Net Charge0
Average Mass367.449
Monoisotopic Mass367.08718
SMILESCSCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C12H21N3O6S2/c1-23-3-2-7(12(20)21)14-11(19)8(5-22)15-10(18)6(13)4-9(16)17/h6-8,22H,2-5,13H2,1H3,(H,14,19)(H,15,18)(H,16,17)(H,20,21)/t6-,7-,8-/m0/s1
InChIKeyWXASLRQUSYWVNE-FXQIFTODSA-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-Cys-Met (CHEBI:160461) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2R)-1-[[(1S)-1-carboxy-3-methylsulanylpropyl]amino]-1-oxo-3-sulanylpropan-2-yl]amino]-4-oxobutanoic acid