CHEBI:88733 - 11-beta-Hydroxyandrosterone-3-glucuronide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 11-beta-Hydroxyandrosterone-3-glucuronide
ChEBI ID CHEBI:88733
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C25H38O9
Net Charge 0
Average Mass 482.565
Monoisotopic Mass 482.25158
InChI InChI=1S/C25H38O9/c1-24-8-7-12(33-23-20(30)18(28)19(29)21(34-23)22(31)32)9-11(24)3-4-13-14-5-6-16(27)25(14,2)10-15(26)17(13)24/h11-15,17-21,23,26,28-30H,3-10H2,1-2H3,(H,31,32)/t11-,12+,13-,14-,15-,17+,18-,19-,20+,21-,23+,24-,25-/m0/s1
InChIKey BRPLOVMHAFXVOQ-HUMIJZDLSA-N
SMILES O[C@@H]1[C@@]2([C@@]3([C@@](CC[C@]2([C@]4([C@](C1)(C(=O)CC4)C)[H])[H])(C[C@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)CC3)[H])C)[H]
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed
ChEBI Ontology
Outgoing 11-beta-Hydroxyandrosterone-3-glucuronide (CHEBI:88733) is a steroid glucosiduronic acid (CHEBI:26763)
Synonyms Sources
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(1S,2S,5R,7S,10S,11S,15S,17S)-17-hydroxy-2,15-dimethyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]oxy}oxane-2-carboxylic acid HMDB
11-beta-Hydroxyetiocholanolone-3-glucuronide HMDB
11beta-hydroxyandrosterone 3-glucuronide HMDB
Manual Xrefs Databases
Beta-D-Glucuronides MetaCyc
HMDB0010351 HMDB
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Citation Waiting for Citations Type Source
22624806 PubMed citation Europe PMC