| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:34:21 UTC |
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| Update Date | 2020-05-11 20:44:01 UTC |
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| BMDB ID | BMDB0000653 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Cholesterol sulfate |
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| Description | Cholesterol 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. |
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| Structure | |
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| Synonyms | | Value | Source |
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| CHOLEST-5-en-3-yl hydrogen sulfATE | ChEBI | | Cholest-5-en-3beta-ol sulfate | ChEBI | | Cholesterol 3-sulfate | ChEBI | | Cholesterol 3-sulphate | ChEBI | | Cholesterol hydrogen sulfate | ChEBI | | Cholesterol hydrogen sulphate | ChEBI | | Cholesterol sulphate | ChEBI | | Cholesteryl sulfate | ChEBI | | Cholesteryl sulphate | ChEBI | | CHOLEST-5-en-3-yl hydrogen sulfuric acid | Generator | | CHOLEST-5-en-3-yl hydrogen sulphate | Generator | | CHOLEST-5-en-3-yl hydrogen sulphuric acid | Generator | | Cholest-5-en-3b-ol sulfate | Generator | | Cholest-5-en-3b-ol sulfuric acid | Generator | | Cholest-5-en-3b-ol sulphate | Generator | | Cholest-5-en-3b-ol sulphuric acid | Generator | | Cholest-5-en-3beta-ol sulfuric acid | Generator | | Cholest-5-en-3beta-ol sulphate | Generator | | Cholest-5-en-3beta-ol sulphuric acid | Generator | | Cholest-5-en-3β-ol sulfate | Generator | | Cholest-5-en-3β-ol sulfuric acid | Generator | | Cholest-5-en-3β-ol sulphate | Generator | | Cholest-5-en-3β-ol sulphuric acid | Generator | | Cholesterol 3-sulfuric acid | Generator | | Cholesterol 3-sulphuric acid | Generator | | Cholesterol hydrogen sulfuric acid | Generator | | Cholesterol hydrogen sulphuric acid | Generator | | Cholesterol sulfuric acid | Generator | | Cholesterol sulphuric acid | Generator | | Cholesteryl sulfuric acid | Generator | | Cholesteryl sulphuric acid | Generator | | 5-Cholesten-3b-yl sulfate | HMDB | | 5-Cholesten-3b-yl sulphate | HMDB | | Cholesteryl sulfate, sodium salt, (3beta)-isomer | MeSH, HMDB | | Cholesteryl sulfate, ammonium salt, (3beta)-isomer | MeSH, HMDB | | Cholesteryl sulfate, sodium salt, 26-(14)C-labeled | MeSH, HMDB | | Cholesteryl sulfate, 3H-labeled, (3beta)-isomer | MeSH, HMDB | | Cholesteryl sulfate, potassium salt, (3beta)-isomer | MeSH, HMDB |
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| Chemical Formula | C27H46O4S |
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| Average Molecular Weight | 466.717 |
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| Monoisotopic Molecular Weight | 466.31168065 |
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| IUPAC Name | [(1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl]oxidanesulfonic acid |
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| Traditional Name | [(1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl]oxidanesulfonic acid |
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| CAS Registry Number | 1256-86-6 |
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| 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 |
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| InChI Identifier | InChI=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 |
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| InChI Key | BHYOQNUELFTYRT-DPAQBDIFSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Steroids and steroid derivatives |
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| Sub Class | Cholestane steroids |
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| Direct Parent | Cholesterols and derivatives |
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| Alternative Parents | |
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| 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
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| Molecular Framework | Aliphatic homopolycyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Status | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | - Cell membrane
- Cytoplasm
- Endoplasmic reticulum
- Membrane
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| Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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