CHEBI:159683 - Lys-Ala-Ile

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Lys-Ala-Ile
ChEBI ID CHEBI:159683
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H30N4O4
Net Charge 0
Average Mass 330.429
Monoisotopic Mass 330.22671
InChI InChI=1S/C15H30N4O4/c1-4-9(2)12(15(22)23)19-13(20)10(3)18-14(21)11(17)7-5-6-8-16/h9-12H,4-8,16-17H2,1-3H3,(H,18,21)(H,19,20)(H,22,23)/t9-,10-,11-,12-/m0/s1
InChIKey NFLFJGGKOHYZJF-BJDJZHNGSA-N
SMILES OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)C)[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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Lys-Ala-Ile (CHEBI:159683) is a oligopeptide (CHEBI:25676)
IUPAC Name
(2S,3S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]-3-methylpentanoic acid
Manual Xref Database
8172339 ChemSpider
View more database links