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CHEBI:160980 - Asp-Trp-Thr

ChEBI IDCHEBI:160980
ChEBI NameAsp-Trp-Thr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24N4O7
Net Charge0
Average Mass420.422
Monoisotopic Mass420.16450
SMILESC[C@@H](O)[C@H](NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C19H24N4O7/c1-9(24)16(19(29)30)23-18(28)14(22-17(27)12(20)7-15(25)26)6-10-8-21-13-5-3-2-4-11(10)13/h2-5,8-9,12,14,16,21,24H,6-7,20H2,1H3,(H,22,27)(H,23,28)(H,25,26)(H,29,30)/t9-,12+,14+,16+/m1/s1
InChIKeyLEYKQPDPZJIRTA-AQZXSJQPSA-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)
Asp-Trp-Thr (CHEBI:160980) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid