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CHEBI:163666 - Thr-Arg-Ile

ChEBI IDCHEBI:163666
ChEBI NameThr-Arg-Ile
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](CCCN=C(N)N)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)O
InChIInChI=1S/C16H32N6O5/c1-4-8(2)12(15(26)27)22-13(24)10(6-5-7-20-16(18)19)21-14(25)11(17)9(3)23/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
InChIKeyMQBTXMPQNCGSSZ-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-Arg-Ile (CHEBI:163666) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoic acid
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