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CHEBI:163972 - Thr-Ile-Asn

ChEBI IDCHEBI:163972
ChEBI NameThr-Ile-Asn
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H26N4O6
Net Charge0
Average Mass346.384
Monoisotopic Mass346.18523
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C14H26N4O6/c1-4-6(2)11(18-12(21)10(16)7(3)19)13(22)17-8(14(23)24)5-9(15)20/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
InChIKeyPAXANSWUSVPFNK-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)
Thr-Ile-Asn (CHEBI:163972) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-4-amino-2-[[(2S,3S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoic acid
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