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CHEBI:160971 - Asp-Trp-Met

ChEBI IDCHEBI:160971
ChEBI NameAsp-Trp-Met
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Last Modified20 March 2025
SubmitterMetaboLights
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FormulaC20H26N4O6S
Net Charge0
Average Mass450.517
Monoisotopic Mass450.15731
SMILESCSCC[C@H](NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C20H26N4O6S/c1-31-7-6-15(20(29)30)23-19(28)16(24-18(27)13(21)9-17(25)26)8-11-10-22-14-5-3-2-4-12(11)14/h2-5,10,13,15-16,22H,6-9,21H2,1H3,(H,23,28)(H,24,27)(H,25,26)(H,29,30)/t13-,15-,16-/m0/s1
InChIKeyGWOVSEVNXNVMMY-BPUTZDHNSA-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-Met (CHEBI:160971) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-1-[[(1S)-1-carboxy-3-methylsulanylpropyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid