CHEBI:159851 - Asn-Ile-His

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Asn-Ile-His
ChEBI ID CHEBI:159851
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H26N6O5
Net Charge 0
Average Mass 382.421
Monoisotopic Mass 382.19647
InChI InChI=1S/C16H26N6O5/c1-3-8(2)13(22-14(24)10(17)5-12(18)23)15(25)21-11(16(26)27)4-9-6-19-7-20-9/h6-8,10-11,13H,3-5,17H2,1-2H3,(H2,18,23)(H,19,20)(H,21,25)(H,22,24)(H,26,27)/t8-,10-,11-,13-/m0/s1
InChIKey KMCRKVOLRCOMBG-DJFWLOJKSA-N
SMILES O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC(=O)N)[C@H](CC)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing Asn-Ile-His (CHEBI:159851) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S,3S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid