Record Information
Version1.0
Creation date2011-09-21 00:09:24 UTC
Update date2015-10-09 22:29:50 UTC
Primary IDFDB022164
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameCholesterol sulfate
DescriptionCholesterol sulfate belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core. Based on a literature review a significant number of articles have been published on Cholesterol sulfate.
CAS Number1256-86-6
Structure
Thumb
Synonyms
SynonymSource
CHOLEST-5-en-3-yl hydrogen sulfATEChEBI
Cholest-5-en-3beta-ol sulfateChEBI
Cholesterol 3-sulfateChEBI
Cholesterol 3-sulphateChEBI
Cholesterol hydrogen sulfateChEBI
Cholesterol hydrogen sulphateChEBI
Cholesterol sulphateChEBI
Cholesteryl sulfateChEBI
Cholesteryl sulphateChEBI
CHOLEST-5-en-3-yl hydrogen sulfuric acidGenerator
CHOLEST-5-en-3-yl hydrogen sulphateGenerator
CHOLEST-5-en-3-yl hydrogen sulphuric acidGenerator
Cholest-5-en-3b-ol sulfateGenerator
Cholest-5-en-3b-ol sulfuric acidGenerator
Cholest-5-en-3b-ol sulphateGenerator
Cholest-5-en-3b-ol sulphuric acidGenerator
Cholest-5-en-3beta-ol sulfuric acidGenerator
Cholest-5-en-3beta-ol sulphateGenerator
Cholest-5-en-3beta-ol sulphuric acidGenerator
Cholest-5-en-3β-ol sulfateGenerator
Cholest-5-en-3β-ol sulfuric acidGenerator
Cholest-5-en-3β-ol sulphateGenerator
Cholest-5-en-3β-ol sulphuric acidGenerator
Cholesterol 3-sulfuric acidGenerator
Cholesterol 3-sulphuric acidGenerator
Cholesterol hydrogen sulfuric acidGenerator
Cholesterol hydrogen sulphuric acidGenerator
Cholesterol sulfuric acidGenerator
Cholesterol sulphuric acidGenerator
Cholesteryl sulfuric acidGenerator
Cholesteryl sulphuric acidGenerator
5-Cholesten-3b-yl sulfateHMDB
5-Cholesten-3b-yl sulphateHMDB
Cholesteryl sulfate, sodium salt, (3beta)-isomerMeSH, HMDB
Cholesteryl sulfate, ammonium salt, (3beta)-isomerMeSH, HMDB
Cholesteryl sulfate, sodium salt, 26-(14)C-labeledMeSH, HMDB
Cholesteryl sulfate, 3H-labeled, (3beta)-isomerMeSH, HMDB
Cholesteryl sulfate, potassium salt, (3beta)-isomerMeSH, HMDB
Cholesterol sulfatehmdb
Cholesterol sulfic acidhmdb
Predicted PropertiesNot Available
Chemical FormulaC27H46O4S
IUPAC name
InChI IdentifierInChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChI KeyBHYOQNUELFTYRT-DPAQBDIFSA-N
Isomeric SMILES[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OS(O)(=O)=O
Average Molecular Weight466.717
Monoisotopic Molecular Weight466.31168065
Classification
Description Belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassSteroids and steroid derivatives
Sub ClassCholestane steroids
Direct ParentCholesterols and derivatives
Alternative Parents
Substituents
  • Cholesterol
  • Sulfated steroid skeleton
  • Delta-5-steroid
  • Sulfuric acid ester
  • Alkyl sulfate
  • Sulfate-ester
  • Sulfuric acid monoester
  • Organic sulfuric acid or derivatives
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aliphatic homopolycyclic compound
Molecular FrameworkAliphatic homopolycyclic compounds
External Descriptors
Ontology
Physiological effect

Health effect:

Disposition

Route of exposure:

Source:

Biological location:

Process

Naturally occurring process:

Role

Biological role:

Industrial application:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MSNot Available
NMRNot Available
ChemSpider ID58586
ChEMBL IDCHEMBL1231592
KEGG Compound IDC18043
Pubchem Compound ID65076
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB00653
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG ID2705326
KNApSAcK IDNot Available
HET IDC3S
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
Enzymes
NameGene NameUniProt ID
Sulfotransferase family cytosolic 2B member 1SULT2B1O00204
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference