| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:29:50 UTC |
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| Update date | 2017-01-19 02:36:19 UTC |
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| FoodComEx ID | PC000313 |
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| FoodDB Record | FDB022164 |
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| Chemical Information |
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| Name | Cholesterol sulfate |
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| Description | Cholesterol sulfate is a sterol sulfate in human plasma. It is a component of cell membrane and has a regulatory function. It has a stabilizing function on the membrane, supports platelet adhesion and involves in signal transduction. (PMID 12730293) [HMDB] |
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| CAS Number | 1256-86-6 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 5-Cholesten-3b-yl sulfate | hmdb | | 5-Cholesten-3b-yl sulphate | HMDB | | CHOLEST-5-en-3-yl hydrogen sulfATE | 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 | hmdb | | 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 sulfate | ChEBI | | 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-sulfate | hmdb | | Cholesterol 3-sulphate | HMDB | | Cholesterol hydrogen sulfate | hmdb | | Cholesterol hydrogen sulphate | HMDB | | Cholesterol sulfate | hmdb | | Cholesterol sulfic acid | hmdb | | Cholesterol sulfuric acid | Generator | | Cholesterol sulphate | Generator | | Cholesterol sulphuric acid | Generator | | Cholesteryl sulfate | hmdb | | Cholesteryl sulfuric acid | Generator | | Cholesteryl sulphate | Generator | | Cholesteryl sulphuric acid | Generator |
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| Chemical Formula | C27H46O4S |
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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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| 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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| 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 |
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| Average Molecular Weight | 466.717 |
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| Monoisotopic Molecular Weight | 466.31168065 |
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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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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Not Available | |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, up to 50 mg |
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| Delivery Time | Not Available |
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| Storage Form | solid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| Not Available |
