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CHEBI:161545 - Cys-Met-Asn

ChEBI IDCHEBI:161545
ChEBI NameCys-Met-Asn
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Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H22N4O5S2
Net Charge0
Average Mass366.465
Monoisotopic Mass366.10316
SMILESCSCC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C12H22N4O5S2/c1-23-3-2-7(15-10(18)6(13)5-22)11(19)16-8(12(20)21)4-9(14)17/h6-8,22H,2-5,13H2,1H3,(H2,14,17)(H,15,18)(H,16,19)(H,20,21)/t6-,7-,8-/m0/s1
InChIKeyQVLKXRMFNGHDRO-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)
Cys-Met-Asn (CHEBI:161545) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-4-methylsulanylbutanoyl]amino]-4-oxobutanoic acid
Manual XrefsDatabases
8369317ChemSpider