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CHEBI:158240 - Ile-Asn-Thr

ChEBI IDCHEBI:158240
ChEBI NameIle-Asn-Thr
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Last Modified20 March 2025
SubmitterMetaboLights
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FormulaC14H26N4O6
Net Charge0
Average Mass346.384
Monoisotopic Mass346.18523
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C14H26N4O6/c1-4-6(2)10(16)13(22)17-8(5-9(15)20)12(21)18-11(7(3)19)14(23)24/h6-8,10-11,19H,4-5,16H2,1-3H3,(H2,15,20)(H,17,22)(H,18,21)(H,23,24)/t6-,7+,8-,10-,11-/m0/s1
InChIKeyNCSIQAFSIPHVAN-IUKAMOBKSA-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-Asn-Thr (CHEBI:158240) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3R)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoic acid