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CHEBI:158595 - Ala-Trp-Trp

ChEBI IDCHEBI:158595
ChEBI NameAla-Trp-Trp
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Last Modified20 March 2025
SubmitterMetaboLights
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FormulaC25H27N5O4
Net Charge0
Average Mass461.522
Monoisotopic Mass461.20630
SMILESC[C@H](N)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C25H27N5O4/c1-14(26)23(31)29-21(10-15-12-27-19-8-4-2-6-17(15)19)24(32)30-22(25(33)34)11-16-13-28-20-9-5-3-7-18(16)20/h2-9,12-14,21-22,27-28H,10-11,26H2,1H3,(H,29,31)(H,30,32)(H,33,34)/t14-,21-,22-/m0/s1
InChIKeyCKIBTNMWVMKAHB-RWGOJESNSA-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-Trp-Trp (CHEBI:158595) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
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