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CHEBI:163701 - Thr-Asn-Glu

Default Structure
ChEBI IDCHEBI:163701
ChEBI NameThr-Asn-Glu
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H22N4O8
Net Charge0
Average Mass362.339
Monoisotopic Mass362.14376
SMILESC[C@@H](O)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C13H22N4O8/c1-5(18)10(15)12(23)17-7(4-8(14)19)11(22)16-6(13(24)25)2-3-9(20)21/h5-7,10,18H,2-4,15H2,1H3,(H2,14,19)(H,16,22)(H,17,23)(H,20,21)(H,24,25)/t5-,6+,7+,10+/m1/s1
InChIKeyQGXCWPNQVCYJEL-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)
Thr-Asn-Glu (CHEBI:163701) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]pentanedioic acid