Structure database (LMSD)

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LM IDLMST05010036
Common Name-
Systematic Name17-hydroxyandrostane-3-glucuronide
Synonyms-
Exact Mass
484.2672 (neutral)    Calculate m/z:
FormulaC25H40O9
CategorySterol Lipids [ST]
Main ClassSteroid conjugates [ST05]
Sub ClassGlucuronides [ST0501]
PubChem CID44263361
HMDB IDHMDB10359
InChIKeyOGXFAGFSKKOOPU-ACHUJRBVSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H40O9/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/h11-21,23,26-30H,3-10H2,1-2H3,(H,
31,32)/t11-,12+,13-,14-,15-,16-,17+,18-,19-,20+,21?,23+,24-,25-/m0/s1
SMILES-
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms34Rings5Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
455.73Topological Polar
Surface Area
158.98Hydrogen
Bond Donors
6Hydrogen
Bond Acceptors
9
 logP2.93Molar
Refractivity
122.41