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CHEBI:160499 - Asp-Gln-Met

Default Structure
ChEBI IDCHEBI:160499
ChEBI NameAsp-Gln-Met
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H24N4O7S
Net Charge0
Average Mass392.434
Monoisotopic Mass392.13657
SMILESCSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C14H24N4O7S/c1-26-5-4-9(14(24)25)18-13(23)8(2-3-10(16)19)17-12(22)7(15)6-11(20)21/h7-9H,2-6,15H2,1H3,(H2,16,19)(H,17,22)(H,18,23)(H,20,21)(H,24,25)/t7-,8-,9-/m0/s1
InChIKeySPKRHJOVRVDJGG-CIUDSAMLSA-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)
Asp-Gln-Met (CHEBI:160499) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-5-amino-1-[[(1S)-1-carboxy-3-methylsulanylpropyl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoic acid