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CHEBI:178105 - dehydroepiandrosterone 3-O-(β-D-glucuronide)(1−)

ChEBI IDCHEBI:178105
ChEBI Namedehydroepiandrosterone 3-O-(β-D-glucuronide)(1−)
Stars
ASCII Namedehydroepiandrosterone 3-O-(beta-D-glucuronide)(1-)
DefinitionA steroid glucuronide anion that is the conjugate base of dehydroepiandrosterone 3-O-(β-D-glucuronide) arising from deprotonation of the carboxylic group; major species at pH 7.3.
Submitternhn
DownloadsMolfile
FormulaC25H35O8
Net Charge-1
Average Mass463.547
Monoisotopic Mass463.23374
SMILES[H][C@@]12CC=C3C[C@@H](O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H]
InChIInChI=1S/C25H36O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h3,13-16,18-21,23,27-29H,4-11H2,1-2H3,(H,30,31)/p-1/t13-,14-,15-,16-,18-,19-,20+,21-,23+,24-,25-/m0/s1
InChIKeyGLONBVCUAVPJFV-PCDHEYSGSA-M
ChEBI Ontology
Outgoing Relation(s)
dehydroepiandrosterone 3-O-(β-D-glucuronide)(1−) (CHEBI:178105) is a steroid glucosiduronic acid anion (CHEBI:136637)
dehydroepiandrosterone 3-O-(β-D-glucuronide)(1−) (CHEBI:178105) is conjugate base of dehydroisoandrosterone 3-glucuronide (CHEBI:68834)
Incoming Relation(s)
dehydroisoandrosterone 3-glucuronide (CHEBI:68834) is conjugate acid of dehydroepiandrosterone 3-O-(β-D-glucuronide)(1−) (CHEBI:178105)
UniProt Name  Source
3β-androst-5-en-17-one 3-O-(β-D-glucuronate)UniProt
Citations