CHEBI:193836 - N6-beta-Aspartyllysine

ChEBI IDCHEBI:193836
ChEBI NameN6-beta-Aspartyllysine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H19N3O5
Net Charge0
Average Mass261.278
Monoisotopic Mass261.13247
SMILESN[C@@H](CCCCNC(=O)C[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C10H19N3O5/c11-6(9(15)16)3-1-2-4-13-8(14)5-7(12)10(17)18/h6-7H,1-5,11-12H2,(H,13,14)(H,15,16)(H,17,18)/t6-,7-/m0/s1
InChIKeyVNJVIQOAVBMTIB-BQBZGAKWSA-N
Species of MetaboliteComponentSourceComments
synthetic microbial community (ncbitaxon:3229850) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3129)
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
N6-beta-Aspartyllysine (CHEBI:193836) is a L-α-amino acid (CHEBI:15705)
IUPAC Name 
(2S)-2-amino-6-[[(3S)-3-amino-3-carboxypropanoyl]amino]hexanoic acid
Manual XrefsDatabases
17216314ChemSpider
Registry NumbersSources
CAS:5853-83-8ChemIDplus