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CHEBI:163760 - Thr-Asp-Trp

ChEBI IDCHEBI:163760
ChEBI NameThr-Asp-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24N4O7
Net Charge0
Average Mass420.422
Monoisotopic Mass420.16450
SMILESC[C@@H](O)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C19H24N4O7/c1-9(24)16(20)18(28)22-13(7-15(25)26)17(27)23-14(19(29)30)6-10-8-21-12-5-3-2-4-11(10)12/h2-5,8-9,13-14,16,21,24H,6-7,20H2,1H3,(H,22,28)(H,23,27)(H,25,26)(H,29,30)/t9-,13+,14+,16+/m1/s1
InChIKeyVUKVQVNKIIZBPO-HOUAVDHOSA-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-Asp-Trp (CHEBI:163760) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-oxobutanoic acid