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CHEBI:159644 - Asn-Cys-Gln

ChEBI IDCHEBI:159644
ChEBI NameAsn-Cys-Gln
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](CS)NC(=O)[C@@H](N)CC(N)=O)C(=O)O
InChIInChI=1S/C12H21N5O6S/c13-5(3-9(15)19)10(20)17-7(4-24)11(21)16-6(12(22)23)1-2-8(14)18/h5-7,24H,1-4,13H2,(H2,14,18)(H2,15,19)(H,16,21)(H,17,20)(H,22,23)/t5-,6-,7-/m0/s1
InChIKeyTWVTVZUGEDBAJF-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)
Asn-Cys-Gln (CHEBI:159644) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2R)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-sulanylpropanoyl]amino]-5-oxopentanoic acid