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CHEBI:157935 - Ala-Ala-Trp

Default Structure
ChEBI IDCHEBI:157935
ChEBI NameAla-Ala-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22N4O4
Net Charge0
Average Mass346.387
Monoisotopic Mass346.16411
SMILESC[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C17H22N4O4/c1-9(18)15(22)20-10(2)16(23)21-14(17(24)25)7-11-8-19-13-6-4-3-5-12(11)13/h3-6,8-10,14,19H,7,18H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)/t9-,10-,14-/m0/s1
InChIKeyKQFRUSHJPKXBMB-BHDSKKPTSA-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)
Ala-Ala-Trp (CHEBI:157935) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
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