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CHEBI:158199 - Ile-Arg-Thr

ChEBI IDCHEBI:158199
ChEBI NameIle-Arg-Thr
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Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H32N6O5
Net Charge0
Average Mass388.469
Monoisotopic Mass388.24342
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C16H32N6O5/c1-4-8(2)11(17)14(25)21-10(6-5-7-20-16(18)19)13(24)22-12(9(3)23)15(26)27/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
InChIKeyQTUSJASXLGLJSR-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)
Ile-Arg-Thr (CHEBI:158199) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoic acid