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CHEBI:160431 - Asp-Asp-Trp

ChEBI IDCHEBI:160431
ChEBI NameAsp-Asp-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22N4O8
Net Charge0
Average Mass434.405
Monoisotopic Mass434.14376
SMILESN[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C19H22N4O8/c20-11(6-15(24)25)17(28)22-13(7-16(26)27)18(29)23-14(19(30)31)5-9-8-21-12-4-2-1-3-10(9)12/h1-4,8,11,13-14,21H,5-7,20H2,(H,22,28)(H,23,29)(H,24,25)(H,26,27)(H,30,31)/t11-,13-,14-/m0/s1
InChIKeyKGAJCJXBEWLQDZ-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)
Asp-Asp-Trp (CHEBI:160431) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-3-carboxy-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid