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CHEBI:160187 - Asn-Trp-Ser

Default Structure
ChEBI IDCHEBI:160187
ChEBI NameAsn-Trp-Ser
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H23N5O6
Net Charge0
Average Mass405.411
Monoisotopic Mass405.16483
SMILESNC(=O)C[C@H](N)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C18H23N5O6/c19-11(6-15(20)25)16(26)22-13(17(27)23-14(8-24)18(28)29)5-9-7-21-12-4-2-1-3-10(9)12/h1-4,7,11,13-14,21,24H,5-6,8,19H2,(H2,20,25)(H,22,26)(H,23,27)(H,28,29)/t11-,13-,14-/m0/s1
InChIKeyMLJZMGIXXMTEPO-UBHSHLNASA-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-Ser (CHEBI:160187) 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]-3-hydroxypropanoic acid