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CHEBI:158056 - Ala-Cys-Arg

ChEBI IDCHEBI:158056
ChEBI NameAla-Cys-Arg
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Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H24N6O4S
Net Charge0
Average Mass348.429
Monoisotopic Mass348.15797
SMILESC[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
InChIInChI=1S/C12H24N6O4S/c1-6(13)9(19)18-8(5-23)10(20)17-7(11(21)22)3-2-4-16-12(14)15/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
InChIKeyWJRXVTCKASUIFF-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)
Ala-Cys-Arg (CHEBI:158056) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-sulanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Manual XrefsDatabases
16568492ChemSpider