EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:160126 - Asn-Thr-Gln

ChEBI IDCHEBI:160126
ChEBI NameAsn-Thr-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H23N5O7
Net Charge0
Average Mass361.355
Monoisotopic Mass361.15975
SMILESC[C@@H](O)[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C13H23N5O7/c1-5(19)10(18-11(22)6(14)4-9(16)21)12(23)17-7(13(24)25)2-3-8(15)20/h5-7,10,19H,2-4,14H2,1H3,(H2,15,20)(H2,16,21)(H,17,23)(H,18,22)(H,24,25)/t5-,6+,7+,10+/m1/s1
InChIKeyQUMKPKWYDVMGNT-NUMRIWBASA-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-Thr-Gln (CHEBI:160126) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S,3R)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoic acid