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CHEBI:160169 - Asn-Trp-Glu

Default Structure
ChEBI IDCHEBI:160169
ChEBI NameAsn-Trp-Glu
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H25N5O7
Net Charge0
Average Mass447.448
Monoisotopic Mass447.17540
SMILESNC(=O)C[C@H](N)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C20H25N5O7/c21-12(8-16(22)26)18(29)25-15(7-10-9-23-13-4-2-1-3-11(10)13)19(30)24-14(20(31)32)5-6-17(27)28/h1-4,9,12,14-15,23H,5-8,21H2,(H2,22,26)(H,24,30)(H,25,29)(H,27,28)(H,31,32)/t12-,14-,15-/m0/s1
InChIKeyFHCRKXCTKSHNOE-QEJZJMRPSA-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-Trp-Glu (CHEBI:160169) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]pentanedioic acid