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CHEBI:161267 - Cys-Gln-Asn

ChEBI IDCHEBI:161267
ChEBI NameCys-Gln-Asn
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H21N5O6S
Net Charge0
Average Mass363.396
Monoisotopic Mass363.12125
SMILESNC(=O)CC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C12H21N5O6S/c13-5(4-24)10(20)16-6(1-2-8(14)18)11(21)17-7(12(22)23)3-9(15)19/h5-7,24H,1-4,13H2,(H2,14,18)(H2,15,19)(H,16,20)(H,17,21)(H,22,23)/t5-,6-,7-/m0/s1
InChIKeyQADHATDBZXHRCA-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)
Cys-Gln-Asn (CHEBI:161267) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoic acid