CHEBI:37451 - 3α-hydroxy-5β-androstan-17-one 3-glucosiduronic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3α-hydroxy-5β-androstan-17-one 3-glucosiduronic acid
ChEBI ID CHEBI:37451
ChEBI ASCII Name 3alpha-hydroxy-5beta-androstan-17-one 3-glucosiduronic acid
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:4908, CHEBI:24007
Supplier Information
Download Molfile XML SDF
Formula C25H38O8
Net Charge 0
Average Mass 466.56442
Monoisotopic Mass 466.25667
InChI InChI=1S/C25H38O8/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/h12-16,18-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,13-,14+,15+,16+,18+,19+,20-,21+,23-,24+,25+/m1/s1
InChIKey VFUIRAVTUVCQTF-SDHZCXLISA-N
SMILES [H][C@]12CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](C2)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3α-hydroxy-5β-androstan-17-one 3-glucosiduronic acid (CHEBI:37451) has functional parent 3α-hydroxy-5β-androstan-17-one (CHEBI:28195)
3α-hydroxy-5β-androstan-17-one 3-glucosiduronic acid (CHEBI:37451) has role human metabolite (CHEBI:77746)
3α-hydroxy-5β-androstan-17-one 3-glucosiduronic acid (CHEBI:37451) has role mouse metabolite (CHEBI:75771)
3α-hydroxy-5β-androstan-17-one 3-glucosiduronic acid (CHEBI:37451) is a steroid glucosiduronic acid (CHEBI:26763)
IUPAC Name
17-oxo-5β-androstan-3α-yl β-D-glucopyranosiduronic acid
Synonyms Sources
3α-hydroxyetiocholan-17-one 3-glucosiduronic acid ChEBI
3α-hydroxyetiocholan-17-one 3-glucuronide ChEBI
Etiocholan-3alpha-ol-17-one 3-glucuronide KEGG COMPOUND
etiocholan-3alpha-ol-17-one 3-glucuronoside ChEBI
Manual Xrefs Databases
C11136 KEGG COMPOUND
LMST05010014 LIPID MAPS
View more database links
Registry Number Type Source
3602-09-3 CAS Registry Number KEGG COMPOUND
Last Modified
27 January 2016