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CHEBI:163969 - Thr-Ile-Arg

ChEBI IDCHEBI:163969
ChEBI NameThr-Ile-Arg
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H32N6O5
Net Charge0
Average Mass388.469
Monoisotopic Mass388.24342
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
InChIInChI=1S/C16H32N6O5/c1-4-8(2)12(22-13(24)11(17)9(3)23)14(25)21-10(15(26)27)6-5-7-20-16(18)19/h8-12,23H,4-7,17H2,1-3H3,(H,21,25)(H,22,24)(H,26,27)(H4,18,19,20)/t8-,9+,10-,11-,12-/m0/s1
InChIKeyWPAKPLPGQNUXGN-OSUNSFLBSA-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)
Thr-Ile-Arg (CHEBI:163969) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Manual XrefsDatabases
16574742ChemSpider