RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0135802
RefMet nameHyodeoxycholic acid
Systematic name3alpha,6alpha-Dihydroxy-5beta-cholan-24-oic acid
SynonymsPubChem Synonyms
Sum CompositionST 24:1;O4 View other entries in RefMet with this sum composition
Exact mass392.292660 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC24H40O4View other entries in RefMet with this formula
Molecular descriptors
Molfile36266 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3
H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20+,21+,23-,24-/m1/s1
InChIKeyDGABKXLVXPYZII-SIBKNCMHSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C[C@@H]([C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassSterol Lipids
Main ClassBile acids
Sub ClassC24 Bile acids
Distribution of Hyodeoxycholic acid in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting Hyodeoxycholic acid
External Links
Pubchem CID5283820
LIPID MAPSLMST04010024
ChEBI ID52023
KEGG IDC15517
HMDB IDHMDB0000733
Spectral data for Hyodeoxycholic acid standards
NP-MRD ID(NMR)View NMR spectra
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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