CHEBI:159819 - Asn-His-Met

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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-His-Met
ChEBI ID CHEBI:159819
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H24N6O5S
Net Charge 0
Average Mass 400.450
Monoisotopic Mass 400.15289
InChI InChI=1S/C15H24N6O5S/c1-27-3-2-10(15(25)26)20-14(24)11(4-8-6-18-7-19-8)21-13(23)9(16)5-12(17)22/h6-7,9-11H,2-5,16H2,1H3,(H2,17,22)(H,18,19)(H,20,24)(H,21,23)(H,25,26)/t9-,10-,11-/m0/s1
InChIKey SXNJBDYEBOUYOJ-DCAQKATOSA-N
SMILES S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)N)CC=1NC=NC1)C(O)=O)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-His-Met (CHEBI:159819) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylsulanylbutanoic acid