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CHEBI:82592 - NNAL-N-glucuronide

ChEBI IDCHEBI:82592
ChEBI NameNNAL-N-glucuronide
Stars
DownloadsMolfile
FormulaC16H23N3O8
Net Charge0
Average Mass385.373
Monoisotopic Mass385.14851
SMILESCN(CCCC(O)c1ccc[n+]([C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)c1)N=O
InChIInChI=1S/C16H23N3O8/c1-18(17-26)6-3-5-10(20)9-4-2-7-19(8-9)15-13(23)11(21)12(22)14(27-15)16(24)25/h2,4,7-8,10-15,20-23H,3,5-6H2,1H3/t10?,11-,12-,13+,14-,15+/m0/s1
InChIKeyVSVYJUYJFLYYSI-UKOUFMKDSA-N
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)
NNAL-N-glucuronide (CHEBI:82592) is a amino acid (CHEBI:33709)
NNAL-N-glucuronide (CHEBI:82592) is a oxacycle (CHEBI:38104)
Manual XrefsDatabases
C19606KEGG COMPOUND