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CHEBI:141204 - cholestane-3,7,12,25-tetrol-3-glucuronide

ChEBI IDCHEBI:141204
ChEBI Namecholestane-3,7,12,25-tetrol-3-glucuronide
Stars
Last Modified5 July 2018
Submittermwilliams
DownloadsMolfile
FormulaC33H56O10
Net Charge0
Average Mass612.801
Monoisotopic Mass612.38735
SMILES[H][C@]1([C@H](C)CCCC(C)(C)O)CCC2C3C(C[C@@H](O)[C@@]21C)[C@@]1(C)CCC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]2O)CC1C[C@@H]3O
InChIInChI=1S/C33H56O10/c1-16(7-6-11-31(2,3)41)19-8-9-20-24-21(15-23(35)33(19,20)5)32(4)12-10-18(13-17(32)14-22(24)34)42-30-27(38)25(36)26(37)28(43-30)29(39)40/h16-28,30,34-38,41H,6-15H2,1-5H3,(H,39,40)/t16-,17?,18?,19-,20?,21?,22+,23-,24?,25-,26+,27-,28+,30-,32+,33-/m1/s1
InChIKeyFHOADKVSESICIH-PTKXJPCFSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
cholestane-3,7,12,25-tetrol-3-glucuronide (CHEBI:141204) is a steroid saponin (CHEBI:61655)
Manual XrefsDatabases
169878ChemSpider