CHEBI:160461 - Asp-Cys-Met

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Asp-Cys-Met
ChEBI ID CHEBI:160461
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H21N3O6S2
Net Charge 0
Average Mass 367.440
Monoisotopic Mass 367.08718
InChI InChI=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
InChIKey WXASLRQUSYWVNE-FXQIFTODSA-N
SMILES S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)CS)C(O)=O)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Asp-Cys-Met (CHEBI:160461) is a peptide (CHEBI:16670)
IUPAC Name
(3S)-3-amino-4-[[(2R)-1-[[(1S)-1-carboxy-3-methylsulanylpropyl]amino]-1-oxo-3-sulanylpropan-2-yl]amino]-4-oxobutanoic acid