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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2017-03-23 04:39:57 UTC
Update Date2022-03-07 03:17:57 UTC
HMDB IDHMDB0062613
Secondary Accession Numbers
  • HMDB62613
Metabolite Identification
Common Name(25R)-3beta-hydroxycholest-5-en-7-one-26-oate
Description(25R)-3beta-hydroxycholest-5-en-7-one-26-oate, also known as (3b,25R)-3-hydroxy-7-oxocholest-5-en-26-Oic acid, belongs to the class of organic compounds known as monohydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or any of their derivatives bearing a hydroxyl group. Based on a literature review a small amount of articles have been published on (25R)-3beta-hydroxycholest-5-en-7-one-26-oate.
Structure
Data?1563866336
Synonyms
ValueSource
(25R)-3b-Hydroxycholest-5-en-7-one-26-OateGenerator
(25R)-3b-Hydroxycholest-5-en-7-one-26-Oic acidGenerator
(25R)-3beta-Hydroxycholest-5-en-7-one-26-Oic acidGenerator
(25R)-3Β-hydroxycholest-5-en-7-one-26-OateGenerator
(25R)-3Β-hydroxycholest-5-en-7-one-26-Oic acidGenerator
(3b,25R)-3-Hydroxy-7-oxocholest-5-en-26-OateHMDB
(3b,25R)-3-Hydroxy-7-oxocholest-5-en-26-Oic acidHMDB
(3beta,25R)-3-Hydroxy-7-oxocholest-5-en-26-OateHMDB
(3beta,25R)-3-Hydroxy-7-oxocholest-5-en-26-Oic acidHMDB
(3Β,25R)-3-hydroxy-7-oxocholest-5-en-26-OateHMDB
(3Β,25R)-3-hydroxy-7-oxocholest-5-en-26-Oic acidHMDB
(25R)-3beta-Hydroxycholest-5-en-7-one-26-OateGenerator
Chemical FormulaC27H42O4
Average Molecular Weight430.629
Monoisotopic Molecular Weight430.308309832
IUPAC Name6-{5-hydroxy-2,15-dimethyl-9-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-14-yl}-2-methylheptanoic acid
Traditional Name6-{5-hydroxy-2,15-dimethyl-9-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-14-yl}-2-methylheptanoic acid
CAS Registry NumberNot Available
SMILES
CC(CCCC(C)C(O)=O)C1CCC2C3C(CCC12C)C1(C)CCC(O)CC1=CC3=O
InChI Identifier
InChI=1S/C27H42O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h15-17,19-22,24,28H,5-14H2,1-4H3,(H,30,31)
InChI KeyQOEPZHFZXUROGV-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as monohydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or any of their derivatives bearing a hydroxyl group.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassSteroids and steroid derivatives
Sub ClassBile acids, alcohols and derivatives
Direct ParentMonohydroxy bile acids, alcohols and derivatives
Alternative Parents
Substituents
  • Monohydroxy bile acid, alcohol, or derivatives
  • Steroid acid
  • 3-hydroxy-delta-5-steroid
  • 3-hydroxysteroid
  • 7-oxosteroid
  • Oxosteroid
  • Hydroxysteroid
  • Delta-5-steroid
  • Medium-chain fatty acid
  • Cyclohexenone
  • Hydroxy fatty acid
  • Fatty acyl
  • Cyclic alcohol
  • Secondary alcohol
  • Ketone
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organic oxide
  • Organic oxygen compound
  • Carbonyl group
  • Hydrocarbon derivative
  • Organooxygen compound
  • Alcohol
  • Aliphatic homopolycyclic compound
Molecular FrameworkAliphatic homopolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.003 g/lALOGPS
LogP4.53ALOGPS
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound76468054
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  2. Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
  3. Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
  4. Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
  5. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.