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CHEBI:161106 - Cys-Arg-Ala

ChEBI IDCHEBI:161106
ChEBI NameCys-Arg-Ala
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H24N6O4S
Net Charge0
Average Mass348.429
Monoisotopic Mass348.15797
SMILESC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CS)C(=O)O
InChIInChI=1S/C12H24N6O4S/c1-6(11(21)22)17-10(20)8(3-2-4-16-12(14)15)18-9(19)7(13)5-23/h6-8,23H,2-5,13H2,1H3,(H,17,20)(H,18,19)(H,21,22)(H4,14,15,16)/t6-,7-,8-/m0/s1
InChIKeySZQCDCKIGWQAQN-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-Arg-Ala (CHEBI:161106) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoic acid