EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:169113 - N-Salicyloylaspartic acid

ChEBI IDCHEBI:169113
ChEBI NameN-Salicyloylaspartic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H11NO6
Net Charge0
Average Mass253.210
Monoisotopic Mass253.05864
SMILESO=C(O)CC(NC(=O)c1ccccc1O)C(=O)O
InChIInChI=1S/C11H11NO6/c13-8-4-2-1-3-6(8)10(16)12-7(11(17)18)5-9(14)15/h1-4,7,13H,5H2,(H,12,16)(H,14,15)(H,17,18)
InChIKeyJMJWCANHASMNST-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
N-Salicyloylaspartic acid (CHEBI:169113) is a aspartic acid derivative (CHEBI:22661)
IUPAC Name 
2-[(2-hydroxybenzoyl)amino]butanedioic acid
Manual XrefsDatabases
3715295ChemSpider
HMDB0039506HMDB