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CHEBI:158563 - Ala-Trp-Arg

ChEBI IDCHEBI:158563
ChEBI NameAla-Trp-Arg
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Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H29N7O4
Net Charge0
Average Mass431.497
Monoisotopic Mass431.22810
SMILESC[C@H](N)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
InChIInChI=1S/C20H29N7O4/c1-11(21)17(28)27-16(9-12-10-25-14-6-3-2-5-13(12)14)18(29)26-15(19(30)31)7-4-8-24-20(22)23/h2-3,5-6,10-11,15-16,25H,4,7-9,21H2,1H3,(H,26,29)(H,27,28)(H,30,31)(H4,22,23,24)/t11-,15-,16-/m0/s1
InChIKeyAETQNIIFKCMVHP-UVBJJODRSA-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-Arg (CHEBI:158563) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
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