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CHEBI:158064 - Ala-Cys-Gln

ChEBI IDCHEBI:158064
ChEBI NameAla-Cys-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H20N4O5S
Net Charge0
Average Mass320.371
Monoisotopic Mass320.11544
SMILESC[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C11H20N4O5S/c1-5(12)9(17)15-7(4-21)10(18)14-6(11(19)20)2-3-8(13)16/h5-7,21H,2-4,12H2,1H3,(H2,13,16)(H,14,18)(H,15,17)(H,19,20)/t5-,6-,7-/m0/s1
InChIKeyFRFDXQWNDZMREB-ACZMJKKPSA-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-Gln (CHEBI:158064) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-sulanylpropanoyl]amino]-5-oxopentanoic acid