EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:192275 - 3-Hydroxy-2-oxindole-3-acetyl-aspartic acid

ChEBI IDCHEBI:192275
ChEBI Name3-Hydroxy-2-oxindole-3-acetyl-aspartic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H12N2O7
Net Charge-2
Average Mass320.257
Monoisotopic Mass320.06555
SMILESO=C([O-])C[C@H](NC(=O)CC1(O)C(=O)Nc2ccccc21)C(=O)[O-]
InChIInChI=1S/C14H14N2O7/c17-10(15-9(12(20)21)5-11(18)19)6-14(23)7-3-1-2-4-8(7)16-13(14)22/h1-4,9,23H,5-6H2,(H,15,17)(H,16,22)(H,18,19)(H,20,21)/p-2/t9-,14?/m0/s1
InChIKeyQMZGZQXNSUNJEY-CUVJYRNJSA-L
Species of MetaboliteComponentSourceComments
Colletotrichum sublineola (ncbitaxon:1173701) - MetaboLights (MTBLS735)
ChEBI Ontology
Outgoing Relation(s)
3-Hydroxy-2-oxindole-3-acetyl-aspartic acid (CHEBI:192275) is a aspartic acid derivative (CHEBI:22661)
IUPAC Name 
(2S)-2-[[2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]amino]butanedioate