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CHEBI:178107 - 5β-androstane-3α,17α-diol-11-one-17β-carboxylate 3-O-(β-D-glucuronide)(2−)

ChEBI IDCHEBI:178107
ChEBI Name5β-androstane-3α,17α-diol-11-one-17β-carboxylate 3-O-(β-D-glucuronide)(2−)
Stars
ASCII Name5beta-androstane-3alpha,17alpha-diol-11-one-17beta-carboxylate 3-O-(beta-D-glucuronide)(2-)
DefinitionA steroid glucuronide anion that is the conjugate base of 5β-androstane-3α,17α-diol-11-one-17β-carboxylate 3-O-(β-D-glucuronide) arising from deprotonation of the carboxylic groups; major species at pH 7.3.
Submitternhn
DownloadsMolfile
FormulaC26H36O11
Net Charge-2
Average Mass524.563
Monoisotopic Mass524.22686
SMILES[H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@](O)(C(=O)[O-])[C@@]4(C)CC(=O)[C@]3([H])[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/C26H38O11/c1-24-7-5-12(36-22-19(30)17(28)18(29)20(37-22)21(31)32)9-11(24)3-4-13-14-6-8-26(35,23(33)34)25(14,2)10-15(27)16(13)24/h11-14,16-20,22,28-30,35H,3-10H2,1-2H3,(H,31,32)(H,33,34)/p-2/t11-,12-,13+,14+,16-,17+,18+,19-,20+,22-,24+,25+,26+/m1/s1
InChIKeyDUGCRLFACJHMID-KIFSAKCFSA-L
ChEBI Ontology
Outgoing Relation(s)
5β-androstane-3α,17α-diol-11-one-17β-carboxylate 3-O-(β-D-glucuronide)(2−) (CHEBI:178107) is a steroid glucosiduronic acid anion (CHEBI:136637)
UniProt Name  Source
3α,17α-dihydroxy-5β-androstane-11-one-17β-carboxylate 3-O-(β-D-glucuronate)UniProt
Citations