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CHEBI:164512 - His-His-Asn

ChEBI IDCHEBI:164512
ChEBI NameHis-His-Asn
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22N8O5
Net Charge0
Average Mass406.403
Monoisotopic Mass406.17132
SMILESNC(=O)C[C@H](NC(=O)[C@H](Cc1cncn1)NC(=O)[C@@H](N)Cc1cncn1)C(=O)O
InChIInChI=1S/C16H22N8O5/c17-10(1-8-4-19-6-21-8)14(26)23-11(2-9-5-20-7-22-9)15(27)24-12(16(28)29)3-13(18)25/h4-7,10-12H,1-3,17H2,(H2,18,25)(H,19,21)(H,20,22)(H,23,26)(H,24,27)(H,28,29)/t10-,11-,12-/m0/s1
InChIKeyCTJHHEQNUNIYNN-SRVKXCTJSA-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)
His-His-Asn (CHEBI:164512) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxobutanoic acid