EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:145757 - deoxycholic acid 3-glucuronide

ChEBI IDCHEBI:145757
ChEBI Namedeoxycholic acid 3-glucuronide
Stars
Submittermwilliams
DownloadsMolfile
FormulaC30H48O10
Net Charge0
Average Mass568.704
Monoisotopic Mass568.32475
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(C[C@H](O)[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(=O)O)[C@@]1(C)CC[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C2
InChIInChI=1S/C30H48O10/c1-14(4-9-22(32)33)18-7-8-19-17-6-5-15-12-16(10-11-29(15,2)20(17)13-21(31)30(18,19)3)39-28-25(36)23(34)24(35)26(40-28)27(37)38/h14-21,23-26,28,31,34-36H,4-13H2,1-3H3,(H,32,33)(H,37,38)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24+,25-,26+,28-,29+,30-/m1/s1
InChIKeyNNEIBJNHWVDJBA-GYSLYLNXSA-N
ChEBI Ontology
Outgoing Relation(s)
deoxycholic acid 3-glucuronide (CHEBI:145757) has functional parent deoxycholic acid (CHEBI:28834)
deoxycholic acid 3-glucuronide (CHEBI:145757) is a steroid glucosiduronic acid (CHEBI:26763)
deoxycholic acid 3-glucuronide (CHEBI:145757) is a β-D-glucosiduronic acid (CHEBI:15341)
Manual XrefsDatabases
LMST05010046LIPID MAPS
HMDB0002596HMDB