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Record Information
Version1.0
Creation Date2016-09-30 22:19:13 UTC
Update Date2020-03-24 18:50:53 UTC
MCDB ID BMDB0000067
Secondary Accession Numbers
  • BMDB00067
Metabolite Identification
Common NameCholesterol
DescriptionCholesterol belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core. Cholesterol is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Cholesterol is a potentially toxic compound.
Structure
Thumb
SynonymsNot Available
Chemical FormulaC27H46O
Average Molecular Weight386.6535
Monoisotopic Molecular Weight386.354866094
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry Number57-88-5
SMILESNot Available
InChI Identifier
InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChI KeyHVYWMOMLDIMFJA-DPAQBDIFSA-N
Chemical Taxonomy
ClassificationNot classified
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted PropertiesNot Available
Spectra
Spectrum TypeDescriptionSplash KeyView
GC-MSGC-MS Spectrum - GC-MS (1 TMS)splash10-004i-3911000000-52f5261007adc218f8f8JSpectraViewer | MoNA
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-052b-2932000000-1667c83d002043a59fffJSpectraViewer | MoNA
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-000l-9527000000-5529a262047f5369c9c1JSpectraViewer | MoNA
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-0mkr-2954000000-60e7d1f5973e4de33decJSpectraViewer | MoNA
GC-MSGC-MS Spectrum - CI-B (Non-derivatized)splash10-014i-1009000000-e82b8e23dedb45ce70e6JSpectraViewer | MoNA
GC-MSGC-MS Spectrum - GC-EI-TOF (Non-derivatized)splash10-056v-2900000000-04687c9f19ff52ba4654JSpectraViewer | MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-05i3-1109000000-8cd386b595bd5151c5a2JSpectraViewer | MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positivesplash10-0006-3104900000-698223f49da0b0c1cf81JSpectraViewer | MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-014r-0009000000-dccd68f70545aeac4fabJSpectraViewer | MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-05p9-3149000000-7f25daf2b709c7e0d177JSpectraViewer | MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0c00-6269000000-5333d0216e01a3e43367JSpectraViewer | MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-000i-0009000000-dc853b29b9e884bbb03bJSpectraViewer | MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-000i-0009000000-09d9608700564a6fef78JSpectraViewer | MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0ldi-1009000000-96f6e67651380e1c959eJSpectraViewer | MoNA
MSMass Spectrum (Electron Ionization)splash10-0a4l-7922000000-36e8a5e1a77d2e71d1d1JSpectraViewer | MoNA
1D NMR1H NMR SpectrumNot AvailableJSpectraViewer
1D NMR13C NMR SpectrumNot AvailableJSpectraViewer
Concentrations
StatusValueReferenceDetails
Detected and Quantified101 uM details
Detected and Quantified362 uM details
Detected but not QuantifiedNot Applicable details
Detected and Quantified52 uM details
Detected and Quantified52 uM details
Detected and Quantified129 uM details
Detected and Quantified52 uM details
Detected and Quantified362 uM details
Detected and Quantified103 uM details
Detected and Quantified103 uM details
Detected and Quantified129 uM details
Detected and Quantified52 uM details
Detected and Quantified52 uM details
Detected and Quantified52 uM details
Detected and Quantified52 uM details
Detected and Quantified155 uM details
Detected and Quantified155 uM details
Detected and Quantified362 uM details
Detected and Quantified206 uM details
Detected and Quantified206 uM details
Detected and Quantified206 uM details
Detected and Quantified206 uM details
Detected and Quantified206 uM details
Detected and Quantified78 uM details
Detected and Quantified90 uM details
Detected and Quantified78 uM details
Detected and Quantified258 uM details
Detected and Quantified258 uM details
Detected and Quantified362 uM details
Detected and Quantified362 uM details
Detected and Quantified362 uM details
Detected but not QuantifiedNot Applicable
  • Kurt J. Boudonck,...
details
External LinksNot Available
References
Synthesis ReferenceZhu, Yongming; Qin, Liena; Liu, Rui. Simple method for synthesis cholesterol from Diosgenin. Faming Zhuanli Shenqing Gongkai Shuomingshu (2006), 9 pp.
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Shi Y, Zhang JH, Shi D, Jiang M, Zhu YX, Mei SR, Zhou YK, Dai K, Lu B: Selective solid-phase extraction of cholesterol using molecularly imprinted polymers and its application in different biological samples. J Pharm Biomed Anal. 2006 Nov 16;42(5):549-55. doi: 10.1016/j.jpba.2006.05.022. Epub 2006 Jul 21. [PubMed:16859856 ]
  2. Jensen RG: The composition of bovine milk lipids: January 1995 to December 2000. J Dairy Sci. 2002 Feb;85(2):295-350. doi: 10.3168/jds.S0022-0302(02)74079-4. [PubMed:11913692 ]
  3. Jensen RG, Ferris AM, Lammi-Keefe CJ: The composition of milk fat. J Dairy Sci. 1991 Sep;74(9):3228-43. doi: 10.3168/jds.S0022-0302(91)78509-3. [PubMed:1779072 ]
  4. Kurt J. Boudonck, Matthew W. Mitchell, Jacob Wulff and John A. Ryals (2009). Kurt J. Boudonck, Matthew W. Mitchell, Jacob Wulff and John A. Ryals. Characterization of the biochemical variability of bovine milk using metabolomics. Metabolomics (2009) 5:375?386. Metabolomics.
  5. USDA Food Composition Databases [Link]
  6. Fooddata+, The Technical University of Denmark (DTU) [Link]