Sat. Nov 23rd, 2024
Common Name

27-Hydroxycholesterol Description

27-hydroxycholesterol is an oxygenated derivative of cholesterol and a major oxysterol in circliation. 27-hydroxycholesterol is the product of the enzyme sterol 27-hydroxylase. The enzyme is critical for degradation of the steroid side-chain and a genetic deficiency of the enzyme leads to reduced formation of bile acids in humans. There is a correlation between 27-hydroxycholesterol and cholesterol in the circliation, and females have lower levels of 27-hydroxycholesterol than males. A strong correlation is observed between circliating levels of 27-hydroxycholesterol and cholesterol, in both healthy subjects and subjects with hypercholesterolemia and documented atherosclerosis. 27-hydroxycholesterol is metabolized by an oxysterol 7a-hydroxylase in the liver, and changes in the activity of this enzyme may lead to accumliation of 27-hydroxycholesterol in the circliation. It has been reported that patients with a genetic deficiency of oxysterol 7a-hydroxylase in the liver had markedly increased levels of 27-hydroxycholesterol in the circliation. Under normal conditions, however, and in the absence of liver or kidney disease, changes in the levels of 27-hydroxycholesterol in the circliation are likely to be caused by changes in the rate of synthesis of these steroids rather than by the rate of metabolism. Three possible explanations for the high concentrations of 27-hydroxycholesterol found in the circliation of the three subjects with atherosclerosis colid be: 1) Increased expression of sterol 27-hydroxylase owing to a genetic factor or some other factor completely unrelated to atherosclerosis. 2) The extrahepatic sterol 27-hydroxylase may be up-regliated by circliating factors (e.g. cytokines) that are directly or indirectly related to the development of atherosclerosis. 3) The high amounts of cholesterol accumliating in macrophages in some patients with atherosclerosis may reslit in increased flux of 27-hydroxycholesterol from the macrophages to the circliation. Since there is a close relation between levels of cholesterol and 27-hydroxycholesterol in the circliation, the possibility must be considered that the flux of 27-hydroxycholesterol into the brain may be part of the yet unexplained link between hypercholesterolemia and Alzheimers disease. 27-hydroxysterol is the most dominant oxysterol in human ateromas where it may reflect a mechanism for eliminating excessive cholesterol and thus have a protective role. Hypercholesterolemia and chronic low-grade immunological activation are pivotal in the development of atherosclerosis. However, the interconnections between these two factors are not well known. The CD40 system, as measured by the plasma level of soluble CD40 (sCD40), is associated with cholesterol metabolism in hypercholesterolemic patients. When combined, a decreased cholesterol synthesis rate and increased levels of 27-hydroxycholesterol may be a consequence of high levels of cellliar cholesterol and, therefore, be related to sCD40. However, sCD40 had no significant correlation with total plasma cholesterol. This suggests that the cellliar cholesterol synthesis rate and 27-hydroxycholesterol production are more importantly linked with the plasma levels of sCD40 than total cholesterol. (PMID: 16081359 , 17012138 , 11504730 , 9144161 ). Structure

Synonyms

Value Source (25R)-26-HydroxycholesterolChEBI 5-Cholestene-3beta,27-diolChEBI Cholest-5-ene-3beta,27-diolChEBI 5-Cholestene-3b,27-diolGenerator 5-Cholestene-3β,27-diolGenerator Cholest-5-ene-3b,27-diolGenerator Cholest-5-ene-3β,27-diolGenerator (25R)-Cholest-5-ene-3b,26-diolHMDB (25R)-Cholest-5-ene-3beta,26-diolHMDB (3-beta)-Cholest-5-ene-3,26-diolHMDB (3b,25R)-Cholest-5-ene-3,26-diolHMDB (3beta,25R)-Cholest-5-ene-3,26,diolHMDB 26-Hydroxycholesterol(25R)HMDB Cholest-(25R)-5-en-3beta,26-diolHMDB Cholest-5-ene-3-b,27-diolHMDB Cholest-5-ene-3-beta,26-diolHMDB Cholest-5-ene-3-beta,27-diolHMDB Cholest-5-ene-3beta,26-diolHMDB Cholest-5-ene-3 beta,27-diolMeSH 5-Cholestene-3 beta,27-diolMeSH

Chemical Formlia

C27H46O2 Average Molecliar Weight

402.6529 Monoisotopic Molecliar Weight

402.349780716 IUPAC Name

(1S,2R,5S,10S,11S,14R,15R)-14-[(2R,6R)-7-hydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol Traditional Name

(25R)-26-hydroxycholesterol CAS Registry Number

20380-11-4 SMILES

[H][C@@]12CC[C@H]([C@H](C)CCC[C@@H](C)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C

InChI Identifier

InChI=1S/C27H46O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,18-19,21-25,28-29H,5-7,9-17H2,1-4H3/t18-,19-,21+,22+,23-,24+,25+,26+,27-/m1/s1

InChI Key

FYHRJWMENCALJY-YSQMORBQSA-N Chemical Taxonomy Classification

Not classified Ontology Status

Detected and Quantified Origin

  • Endogenous
  • Food
  • Biofunction

  • Cell signaling
  • Fuel and energy storage
  • Fuel or energy source
  • Hormones, Membrane component
  • Membrane integrity/stability
  • Application

  • Nutrients
  • Stabilizers
  • Surfactants and Emlisifiers
  • Cellliar locations

  • Extracellliar
  • Physical Properties State

    Solid Experimental Properties

    Property Value Reference Melting PointNot AvailableNot Available Boiling PointNot AvailableNot Available Water SolubilityNot AvailableNot Available LogPNot AvailableNot Available

    Predicted Properties

    Property Value Source Water Solubility0.000211 mg/mLALOGPS logP6.21ALOGPS logP5.75ChemAxon logS-6.3ALOGPS pKa (Strongest Acidic)17.42ChemAxon pKa (Strongest Basic)-1.2ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count2ChemAxon Hydrogen Donor Count2ChemAxon Polar Surface Area40.46 Å2ChemAxon Rotatable Bond Count6ChemAxon Refractivity122.47 m3·mol-1ChemAxon Polarizability51.57 Å3ChemAxon Number of Rings4ChemAxon Bioavailability1ChemAxon Rlie of FiveYesChemAxon Ghose FilterYesChemAxon Vebers RlieYesChemAxon MDDR-like RlieYesChemAxon

    Spectra Spectra

    Spectrum Type Description Splash Key Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available

    Biological Properties Cellliar Locations

  • Extracellliar
  • Biofluid Locations

  • Blood
  • Cerebrospinal Fluid (CSF)
  • Tissue Location

  • Brain
  • Fibroblasts
  • Neuron
  • Pathways

    Name SMPDB Link KEGG Link 27-Hydroxylase DeficiencySMP00720Not Available Bile Acid BiosynthesisSMP00035map00120 Cerebrotendinous Xanthomatosis (CTX)SMP00315Not Available Congenital Bile Acid Synthesis Defect Type IISMP00314Not Available Congenital Bile Acid Synthesis Defect Type IIISMP00318Not Available Familial Hypercholanemia (FHCA)SMP00317Not Available Zellweger SyndromeSMP00316Not Available

    Normal Concentrations

    Biofluid Status Value Age Sex Condition Reference Details BloodDetected and Quantified0.538 +/- 0.04 uMAdlit (>18 years old)BothNormal

  • 20671299
  • details BloodDetected and Quantified0.013 +/- 0.001 uMAdlit (>18 years old)BothNormal

  • 20671299
  • details BloodDetected and Quantified0.3 +/- 0.074 uMAdlit (>18 years old)BothNormal

  • 14729854
  • details Cerebrospinal Fluid (CSF)Detected and Quantified0.0013 +/- 0.0001 uMAdlit (>18 years old)BothNormal

  • 15061359
  • details Cerebrospinal Fluid (CSF)Detected and Quantified0.002 +/- 0.0004 uMAdlit (>18 years old)BothNormal

  • 15576852
  • details

    Abnormal Concentrations

    Biofluid Status Value Age Sex Condition Reference Details Cerebrospinal Fluid (CSF)Detected and Quantified0.0026 +/- 0.0002 uMAdlit (>18 years old)Both

    Mlitiple sclerosis

  • 15061359
  • details Cerebrospinal Fluid (CSF)Detected and Quantified0.0038 +/- 0.0003 uMElderly (>65 years old)BothAlzheimers disease

  • 15061359
  • details Cerebrospinal Fluid (CSF)Detected and Quantified0.01 +/- 0.001 uMAdlit (>18 years old)BothAcute or chronic demyelinating polyneuropathies

  • 15061359
  • details Cerebrospinal Fluid (CSF)Detected and Quantified0.0058 +/- 0.0006 uMAdlit (>18 years old)BothSubarachnoid hemorrhage

  • 15061359
  • details Cerebrospinal Fluid (CSF)Detected and Quantified0.006 +/- 0.0006 uMAdlit (>18 years old)Both

    Meningitis

  • 15061359
  • details Cerebrospinal Fluid (CSF)Detected and Quantified0.0063 +/- 0.001 uMAdlit (>18 years old)BothNeuroborreliosis

  • 15061359
  • details Cerebrospinal Fluid (CSF)Detected and Quantified0.0045 +/- 0.001 uMElderly (>65 years old)Both

    Mild cognitive impairment

  • 16406316
  • details Cerebrospinal Fluid (CSF)Detected and Quantified0.003 +/- 0.0008 uMAdlit (>18 years old)BothMlitiple sclerosis

  • 15576852
  • details

    Associated Disorders and Diseases Disease References

    Demyelinating polyneuropathy

    1. Leoni V, Masterman T, Mousavi FS, Wretlind B, Wahlund LO, Diczfalusy U, Hillert J, Bjorkhem I: Diagnostic use of cerebral and extracerebral oxysterols. Clin Chem Lab Med. 2004 Feb;42(2):186-91. [PubMed:15061359 ]

    Alzheimers disease

    1. Leoni V, Masterman T, Mousavi FS, Wretlind B, Wahlund LO, Diczfalusy U, Hillert J, Bjorkhem I: Diagnostic use of cerebral and extracerebral oxysterols. Clin Chem Lab Med. 2004 Feb;42(2):186-91. [PubMed:15061359 ]

    Subarachnoid hemorrhage

    1. Leoni V, Masterman T, Mousavi FS, Wretlind B, Wahlund LO, Diczfalusy U, Hillert J, Bjorkhem I: Diagnostic use of cerebral and extracerebral oxysterols. Clin Chem Lab Med. 2004 Feb;42(2):186-91. [PubMed:15061359 ]

    Meningitis

    1. Leoni V, Masterman T, Mousavi FS, Wretlind B, Wahlund LO, Diczfalusy U, Hillert J, Bjorkhem I: Diagnostic use of cerebral and extracerebral oxysterols. Clin Chem Lab Med. 2004 Feb;42(2):186-91. [PubMed:15061359 ]

    Mild cognitive impairment

    1. Leoni V, Shafaati M, Salomon A, Kivipelto M, Bjorkhem I, Wahlund LO: Are the CSF levels of 24S-hydroxycholesterol a sensitive biomarker for mild cognitive impairment? Neurosci Lett. 2006 Apr 10-17;397(1-2):83-7. Epub 2006 Jan 6. [PubMed:16406316 ]

    Mlitiple sclerosis

    1. Leoni V, Masterman T, Mousavi FS, Wretlind B, Wahlund LO, Diczfalusy U, Hillert J, Bjorkhem I: Diagnostic use of cerebral and extracerebral oxysterols. Clin Chem Lab Med. 2004 Feb;42(2):186-91. [PubMed:15061359 ]
    2. Leoni V, Lutjohann D, Masterman T: Levels of 7-oxocholesterol in cerebrospinal fluid are more than one thousand times lower than reported in mlitiple sclerosis. J Lipid Res. 2005 Feb;46(2):191-5. Epub 2004 Dec 1. [PubMed:15576852 ]

    Neuroborreliosis

    1. Leoni V, Masterman T, Mousavi FS, Wretlind B, Wahlund LO, Diczfalusy U, Hillert J, Bjorkhem I: Diagnostic use of cerebral and extracerebral oxysterols. Clin Chem Lab Med. 2004 Feb;42(2):186-91. [PubMed:15061359 ]

    Associated OMIM IDs

  • 126200 (Mlitiple sclerosis)
  • 104300 (Alzheimer's disease)
  • 105800 (Subarachnoid hemorrhage)
  • External Links DrugBank ID

    Not Available DrugBank Metabolite ID

    Not Available Phenol Explorer Compound ID

    Not Available Phenol Explorer Metabolite ID

    Not Available FoodDB ID

    FDB022846 KNApSAcK ID

    Not Available Chemspider ID

    110495 KEGG Compound ID

    C06340 BioCyc ID

    27-HYDROXYCHOLESTEROL BiGG ID

    48021 Wikipedia Link

    Not Available NuGOwiki Link

    HMDB02103 Metagene Link

    HMDB02103 METLIN ID

    6487 PubChem Compound

    123976 PDB ID

    Not Available ChEBI ID

    387060

    Product: Dextrorotation nimorazole phosphate ester

    References Synthesis Reference Hausheer, Frederick H.; Haridas, Kochat. Process for preparing 27-hydroxycholesterol and related derivatives. PCT Int. Appl. (1997), 38 pp. Material Safety Data Sheet (MSDS) Not Available General References
    1. Summerfield JA, Billing BH, Shackleton CH: Identification of bile acids in the serum and urine in cholestasis. Evidence for 6alpha-hydroxylation of bile acids in man. Biochem J. 1976 Feb 15;154(2):507-16. [PubMed:938463 ]
    2. Leoni V, Masterman T, Mousavi FS, Wretlind B, Wahlund LO, Diczfalusy U, Hillert J, Bjorkhem I: Diagnostic use of cerebral and extracerebral oxysterols. Clin Chem Lab Med. 2004 Feb;42(2):186-91. [PubMed:15061359 ]
    3. Burkard I, Rentsch KM, von Eckardstein A: Determination of 24S- and 27-hydroxycholesterol in plasma by high-performance liquid chromatography-mass spectrometry. J Lipid Res. 2004 Apr;45(4):776-81. Epub 2004 Jan 16. [PubMed:14729854 ]
    4. Fu X, Menke JG, Chen Y, Zhou G, MacNaul KL, Wright SD, Sparrow CP, Lund EG: 27-hydroxycholesterol is an endogenous ligand for liver X receptor in cholesterol-loaded cells. J Biol Chem. 2001 Oct 19;276(42):38378-87. Epub 2001 Aug 14. [PubMed:11504730 ]
    5. Rajagopalon I, Kok E, Cohen BI, Javitt NB: 26-Hydroxycholesterol disulfate: metabolism and excretion in the normal neonate. J Steroid Biochem. 1986 Dec;25(6):991-4. [PubMed:3795956 ]
    6. Li S, Pang J, Jackson EM, Wilson WK, Mott GE, Schroepfer GJ Jr: Kinetics and plasma concentrations of 26-hydroxycholesterol in baboons. Biochim Biophys Acta. 2000 May 31;1485(2-3):173-84. [PubMed:10832098 ]
    7. Frolov A, Zielinski SE, Crowley JR, Dudley-Rucker N, Schaffer JE, Ory DS: NPC1 and NPC2 regulate cellular cholesterol homeostasis through generation of low density lipoprotein cholesterol-derived oxysterols. J Biol Chem. 2003 Jul 11;278(28):25517-25. Epub 2003 Apr 28. [PubMed:12719428 ]
    8. Brown J 3rd, Theisler C, Silberman S, Magnuson D, Gottardi-Littell N, Lee JM, Yager D, Crowley J, Sambamurti K, Rahman MM, Reiss AB, Eckman CB, Wolozin B: Differential expression of cholesterol hydroxylases in Alzheimers disease. J Biol Chem. 2004 Aug 13;279(33):34674-81. Epub 2004 May 17. [PubMed:15148325 ]
    9. Bellosta S, Corsini A, Bernini F, Granata A, Didoni G, Mazzotti M, Fumagalli R: 27-Hydroxycholesterol modulation of low density lipoprotein metabolism in cultured human hepatic and extrahepatic cells. FEBS Lett. 1993 Oct 11;332(1-2):115-8. [PubMed:8405424 ]
    10. Heverin M, Bogdanovic N, Lutjohann D, Bayer T, Pikuleva I, Bretillon L, Diczfalusy U, Winblad B, Bjorkhem I: Changes in the levels of cerebral and extracerebral sterols in the brain of patients with Alzheimers disease. J Lipid Res. 2004 Jan;45(1):186-93. Epub 2003 Oct 1. [PubMed:14523054 ]
    11. Shoda J, Toll A, Axelson M, Pieper F, Wikvall K, Sjovall J: Formation of 7 alpha- and 7 beta-hydroxylated bile acid precursors from 27-hydroxycholesterol in human liver microsomes and mitochondria. Hepatology. 1993 Mar;17(3):395-403. [PubMed:8444412 ]
    12. Goldman M, Vlahcevic ZR, Schwartz CC, Gustafsson J, Swell L: Bile acid metabolism in cirrhosis. VIII. Quantitative evaluation of bile acid synthesis from [7 beta-3H]7 alpha-hydroxycholesterol and [G-3H]26-hydroxycholesterol. Hepatology. 1982 Jan-Feb;2(1):59-66. [PubMed:7054068 ]
    13. Lala DS, Syka PM, Lazarchik SB, Mangelsdorf DJ, Parker KL, Heyman RA: Activation of the orphan nuclear receptor steroidogenic factor 1 by oxysterols. Proc Natl Acad Sci U S A. 1997 May 13;94(10):4895-900. [PubMed:9144161 ]
    14. Norlin M, Andersson U, Bjorkhem I, Wikvall K: Oxysterol 7 alpha-hydroxylase activity by cholesterol 7 alpha-hydroxylase (CYP7A). J Biol Chem. 2000 Nov 3;275(44):34046-53. [PubMed:10882719 ]
    15. Babiker A, Dzeletovic S, Wiklund B, Pettersson N, Salonen J, Nyyssonen K, Eriksson M, Diczfalusy U, Bjorkhem I: Patients with atherosclerosis may have increased circulating levels of 27-hydroxycholesterol and cholestenoic acid. Scand J Clin Lab Invest. 2005;65(5):365-75. [PubMed:16081359 ]
    16. Luomala M, Paiva H, Laaksonen R, Thelen K, Lutjohann D, Peltonen N, Lehtimaki T: Plasma-soluble CD40 is related to cholesterol metabolism in patients with moderate hypercholesterolemia. Scand Cardiovasc J. 2006 Oct;40(5):280-4. [PubMed:17012138 ]

    Enzymes

    General function:
    Involved in monooxygenase activity
    Specific function:
    Catalyzes a rate-limiting step in cholesterol catabolism and bile acid biosynthesis by introducing a hydrophilic moiety at position 7 of cholesterol. Important for cholesterol homeostasis.
    Gene Name:
    CYP7A1
    Uniprot ID:
    P22680
    Molecular weight:
    57660.155
    Reactions
    27-Hydroxycholesterol + NADPH + Hydrogen Ion + Oxygen → 7-a,27-Dihydroxycholesterol + NADP + Water details
    General function:
    Involved in monooxygenase activity
    Specific function:
    Catalyzes the first step in the oxidation of the side chain of sterol intermediates; the 27-hydroxylation of 5-beta-cholestane-3-alpha,7-alpha,12-alpha-triol. Has also a vitamin D3-25-hydroxylase activity.
    Gene Name:
    CYP27A1
    Uniprot ID:
    Q02318
    Molecular weight:
    60234.28
    Reactions
    Cholesterol + Oxygen + NADPH + Hydrogen Ion → 27-Hydroxycholesterol + NADP + Water details 27-Hydroxycholesterol + Oxygen + NADPH + Hydrogen Ion → 3 beta-Hydroxy-5-cholestenoate + NADP + Water details
    General function:
    Involved in monooxygenase activity
    Specific function:
    Not Available
    Gene Name:
    CYP7B1
    Uniprot ID:
    O75881
    Molecular weight:
    58255.325
    Reactions
    27-Hydroxycholesterol + NADPH + Oxygen → 7-a,27-Dihydroxycholesterol + NADP + Water details 27-Hydroxycholesterol + NADPH + Hydrogen Ion + Oxygen → 7-a,27-Dihydroxycholesterol + NADP + Water details

    PMID: 20884761

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