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CHEBI:161071 - Cys-Ala-Asn

Default Structure
ChEBI IDCHEBI:161071
ChEBI NameCys-Ala-Asn
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H18N4O5S
Net Charge0
Average Mass306.344
Monoisotopic Mass306.09979
SMILESC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C10H18N4O5S/c1-4(13-9(17)5(11)3-20)8(16)14-6(10(18)19)2-7(12)15/h4-6,20H,2-3,11H2,1H3,(H2,12,15)(H,13,17)(H,14,16)(H,18,19)/t4-,5-,6-/m0/s1
InChIKeyPLBJMUUEGBBHRH-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)
Cys-Ala-Asn (CHEBI:161071) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]propanoyl]amino]-4-oxobutanoic acid