CHEBI:159732 - Asn-Glu-Ile

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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-Glu-Ile
ChEBI ID CHEBI:159732
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H26N4O7
Net Charge 0
Average Mass 374.394
Monoisotopic Mass 374.18015
InChI InChI=1S/C15H26N4O7/c1-3-7(2)12(15(25)26)19-14(24)9(4-5-11(21)22)18-13(23)8(16)6-10(17)20/h7-9,12H,3-6,16H2,1-2H3,(H2,17,20)(H,18,23)(H,19,24)(H,21,22)(H,25,26)/t7-,8-,9-,12-/m0/s1
InChIKey MSBDSTRUMZFSEU-PEFMBERDSA-N
SMILES O=C(N[C@@H]([C@H](CC)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC(=O)N)CCC(O)=O
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-Glu-Ile (CHEBI:159732) is a peptide (CHEBI:16670)
IUPAC Name
(2S,3S)-2-[[(2S)-4-carboxy-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]butanoyl]amino]-3-methylpentanoic acid