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CHEBI:137056 - cholic acid glucuronide

ChEBI IDCHEBI:137056
ChEBI Namecholic acid glucuronide
Stars
Last Modified16 May 2017
Submittermwilliams
DownloadsMolfile
FormulaC30H48O11
Net Charge0
Average Mass584.703
Monoisotopic Mass584.31966
SMILES[H][C@@]12C[C@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(=O)O)[C@]1([H])[C@H](O)C2
InChIInChI=1S/C30H48O11/c1-13(4-7-21(33)34)16-5-6-17-22-18(12-20(32)30(16,17)3)29(2)9-8-15(10-14(29)11-19(22)31)40-28-25(37)23(35)24(36)26(41-28)27(38)39/h13-20,22-26,28,31-32,35-37H,4-12H2,1-3H3,(H,33,34)(H,38,39)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24+,25-,26+,28-,29+,30-/m1/s1
InChIKeyRBLDVEUUCHVWMW-SXYQVCRBSA-N
ChEBI Ontology
Outgoing Relation(s)
cholic acid glucuronide (CHEBI:137056) is a steroid glucosiduronic acid (CHEBI:26763)
Manual XrefsDatabases
13628368ChemSpider
HMDB0002577HMDB