EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:173560 - Alanyl-Isoleucine

ChEBI IDCHEBI:173560
ChEBI NameAlanyl-Isoleucine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H18N2O3
Net Charge0
Average Mass202.254
Monoisotopic Mass202.13174
SMILESCCC(C)C(NC(=O)C(C)N)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-4-5(2)7(9(13)14)11-8(12)6(3)10/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyZSOICJZJSRWNHX-UHFFFAOYSA-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)
Alanyl-Isoleucine (CHEBI:173560) is a dipeptide (CHEBI:46761)
IUPAC Name 
2-(2-aminopropanoylamino)-3-methylpentanoic acid
Manual XrefsDatabases
HMDB0028690HMDB
369449ChemSpider