EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:138791 - Asp-Lys-Ile

ChEBI IDCHEBI:138791
ChEBI NameAsp-Lys-Ile
Stars
Last Modified23 October 2017
Submittermwilliams
DownloadsMolfile
FormulaC16H30N4O6
Net Charge0
Average Mass374.438
Monoisotopic Mass374.21653
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C16H30N4O6/c1-3-9(2)13(16(25)26)20-15(24)11(6-4-5-7-17)19-14(23)10(18)8-12(21)22/h9-11,13H,3-8,17-18H2,1-2H3,(H,19,23)(H,20,24)(H,21,22)(H,25,26)/t9-,10-,11-,13-/m0/s1
InChIKeyHJCGDIGVVWETRO-ZPFDUUQYSA-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)
Asp-Lys-Ile (CHEBI:138791) has functional parent L-aspartic acid (CHEBI:17053)
Asp-Lys-Ile (CHEBI:138791) has functional parent L-isoleucine (CHEBI:17191)
Asp-Lys-Ile (CHEBI:138791) has functional parent L-lysine (CHEBI:18019)
Asp-Lys-Ile (CHEBI:138791) is a tripeptide (CHEBI:47923)
IUPAC Names 
DKI
L-α-aspartyl-L-lysyl-L-isoleucine
D-K-I