| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:30:22 UTC |
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| Update Date | 2020-05-11 20:20:49 UTC |
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| BMDB ID | BMDB0000416 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 17-Hydroxypregnenolone sulfate |
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| Description | 17-Hydroxypregnenolone sulfate belongs to the class of organic compounds known as sulfated steroids. These are sterol lipids containing a sulfate group attached to the steroid skeleton. Based on a literature review a small amount of articles have been published on 17-Hydroxypregnenolone sulfate. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 17-Hydroxypregnenolone sulfuric acid | Generator | | 17-Hydroxypregnenolone sulphate | Generator | | 17-Hydroxypregnenolone sulphuric acid | Generator | | 17-Hydroxy-pregnenolone sulfate | HMDB | | 17-Hydroxy-pregnenolone sulphate | HMDB | | 17-Hydroxypregnenolone 3-sulfate | HMDB | | 17-Hydroxypregnenolone 3-sulphate | HMDB | | 17alpha-Hydroxypregnenolone sulfate | HMDB | | 17alpha-Hydroxypregnenolone sulphate | HMDB | | 17b-Hydroxypregnenolone 3-sulfate | HMDB | | 17b-Hydroxypregnenolone 3-sulphate | HMDB | | 17 alpha-Hydroxypregnenolone sulfate | HMDB |
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| Chemical Formula | C21H32O6S |
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| Average Molecular Weight | 412.54 |
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| Monoisotopic Molecular Weight | 412.191959446 |
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| IUPAC Name | [(1S,2R,10R,11S,14R,15S)-14-acetyl-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl]oxidanesulfonic acid |
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| Traditional Name | 17-hydroxypregnenolone sulfate |
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| CAS Registry Number | 2477-77-2 |
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| SMILES | [H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2CC(CC[C@]12C)OS(O)(=O)=O |
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| InChI Identifier | InChI=1S/C21H32O6S/c1-13(22)21(23)11-8-18-16-5-4-14-12-15(27-28(24,25)26)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23H,5-12H2,1-3H3,(H,24,25,26)/t15?,16-,17+,18+,19+,20+,21+/m1/s1 |
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| InChI Key | OMOKWYAQVYBHMG-QUPIPBJSSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as sulfated steroids. These are sterol lipids containing a sulfate group attached to the steroid skeleton. |
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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 | Sulfated steroids |
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| Direct Parent | Sulfated steroids |
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| Alternative Parents | |
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| Substituents | - Sulfated steroid skeleton
- 20-oxosteroid
- Pregnane-skeleton
- Hydroxysteroid
- Oxosteroid
- 17-hydroxysteroid
- Delta-5-steroid
- Sulfuric acid ester
- Alkyl sulfate
- Sulfate-ester
- Sulfuric acid monoester
- Alpha-hydroxy ketone
- Tertiary alcohol
- Cyclic alcohol
- Organic sulfuric acid or derivatives
- Ketone
- Alcohol
- Organic oxide
- Hydrocarbon derivative
- Carbonyl group
- Organooxygen compound
- Organic oxygen 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
- 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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