EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:190789 - 8-Hydroxynevirapine glucuronide

ChEBI IDCHEBI:190789
ChEBI Name8-Hydroxynevirapine glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22N4O8
Net Charge0
Average Mass458.427
Monoisotopic Mass458.14376
SMILESCc1ccnc2c1NC(=O)c1cc(O[C@H]3O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)cnc1N2C1CC1
InChIInChI=1S/C21H22N4O8/c1-8-4-5-22-18-12(8)24-19(29)11-6-10(7-23-17(11)25(18)9-2-3-9)32-21-15(28)13(26)14(27)16(33-21)20(30)31/h4-7,9,13-16,21,26-28H,2-3H2,1H3,(H,24,29)(H,30,31)/t13-,14-,15+,16-,21+/m1/s1
InChIKeyIVZWGLRSSHUFTI-WCYOCWRHSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
8-Hydroxynevirapine glucuronide (CHEBI:190789) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(2R,3R,4R,5S,6R)-6-[(2-cyclopropyl-7-methyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-13-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0061130HMDB
30778632ChemSpider