EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:72816 - L-alanyl-L-alanine

Default Structure
ChEBI IDCHEBI:72816
ChEBI NameL-alanyl-L-alanine
Stars
ASCII NameL-alanyl-L-alanine
DefinitionA dipeptide consisting of two L-alanine units joined by a peptide linkage.
Last Modified13 July 2023
SubmitterSBeisken
DownloadsMolfile
FormulaC6H12N2O3
Net Charge0
Average Mass160.173
Monoisotopic Mass160.08479
SMILESC[C@H](N)C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m0/s1
InChIKeyDEFJQIDDEAULHB-IMJSIDKUSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
Mycoplasma genitalium metabolite  Any bacterial metabolite produced during a metabolic reaction in Mycoplasma genitalium.
ChEBI Ontology
Outgoing Relation(s)
L-alanyl-L-alanine (CHEBI:72816) has functional parent L-alanine (CHEBI:16977)
L-alanyl-L-alanine (CHEBI:72816) has role Mycoplasma genitalium metabolite (CHEBI:131604)
L-alanyl-L-alanine (CHEBI:72816) is a dipeptide (CHEBI:46761)
L-alanyl-L-alanine (CHEBI:72816) is tautomer of Ala-Ala zwitterion (CHEBI:195181)
Incoming Relation(s)
Ala-Ala zwitterion (CHEBI:195181) is tautomer of L-alanyl-L-alanine (CHEBI:72816)
IUPAC Name 
L-alanyl-L-alanine
Synonyms  Source
AAChEBI
Ala-AlaChEBI
N-L-alanyl-L-alanineChemIDplus
L-Ala-L-AlaChEBI
Manual XrefsDatabases
FDB003740FooDB
HMDB0028680HMDB
Registry NumbersSources
Reaxys:1724813Reaxys
CAS:1948-31-8ChemIDplus
Citations