| Record Information |
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| Version | 1.0 |
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| Creation Date | 2020-03-10 17:03:33 UTC |
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| Update Date | 2020-04-22 18:56:57 UTC |
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| BMDB ID | BMDB0096243 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Epiandrosterone sulfate |
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| Description | Epiandrosterone 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. Epiandrosterone sulfate is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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| Structure | |
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| Synonyms | | Value | Source |
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| (3beta,5alpha)-17-Oxoandrostan-3-yl hydrogen sulfate | ChEBI | | (3b,5a)-17-Oxoandrostan-3-yl hydrogen sulfate | Generator | | (3b,5a)-17-Oxoandrostan-3-yl hydrogen sulfuric acid | Generator | | (3b,5a)-17-Oxoandrostan-3-yl hydrogen sulphate | Generator | | (3b,5a)-17-Oxoandrostan-3-yl hydrogen sulphuric acid | Generator | | (3beta,5alpha)-17-Oxoandrostan-3-yl hydrogen sulfuric acid | Generator | | (3beta,5alpha)-17-Oxoandrostan-3-yl hydrogen sulphate | Generator | | (3beta,5alpha)-17-Oxoandrostan-3-yl hydrogen sulphuric acid | Generator | | (3Β,5α)-17-oxoandrostan-3-yl hydrogen sulfate | Generator | | (3Β,5α)-17-oxoandrostan-3-yl hydrogen sulfuric acid | Generator | | (3Β,5α)-17-oxoandrostan-3-yl hydrogen sulphate | Generator | | (3Β,5α)-17-oxoandrostan-3-yl hydrogen sulphuric acid | Generator | | Epiandrosterone sulfuric acid | Generator | | Epiandrosterone sulphate | Generator | | Epiandrosterone sulphuric acid | Generator | | 3β,5α)-3-(Sulfooxy)androstan-17-one | HMDB | | 3β-Hydroxy-5α-androstan-17-one 3-sulfate | HMDB | | 3β-Hydroxy-5α-androstan-17-one monosulfate | HMDB | | 3β-Hydroxy-5α-androstan-17-one sulfate | HMDB | | 3β-Sulfate-5α-androstan-17-one | HMDB | | 3beta,5alpha)-3-(Sulfooxy)androstan-17-one | HMDB | | 3beta-Hydroxy-5alpha-androstan-17-one 3-sulfate | HMDB | | 3beta-Hydroxy-5alpha-androstan-17-one monosulfate | HMDB | | 3beta-Hydroxy-5alpha-androstan-17-one sulfate | HMDB | | 3beta-Sulfate-5alpha-androstan-17-one | HMDB | | Epiandrosterone 3beta-sulfate | HMDB | | Epi-Androsterone sulfate | HMDB | | Epiandrosterone 3β-sulfate | HMDB | | Epiandrosterone sulfate | HMDB | | Isoandrosterone sulfate | HMDB |
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| Chemical Formula | C19H30O5S |
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| Average Molecular Weight | 370.5 |
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| Monoisotopic Molecular Weight | 370.18139524 |
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| IUPAC Name | [(1S,2S,5S,7S,10R,11S,15S)-2,15-dimethyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]oxidanesulfonic acid |
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| Traditional Name | [(1S,2S,5S,7S,10R,11S,15S)-2,15-dimethyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]oxidanesulfonic acid |
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| CAS Registry Number | Not Available |
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| SMILES | [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](CC[C@]12C)OS(O)(=O)=O |
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| InChI Identifier | InChI=1S/C19H30O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h12-16H,3-11H2,1-2H3,(H,21,22,23)/t12-,13-,14-,15-,16-,18-,19-/m0/s1 |
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| InChI Key | ZMITXKRGXGRMKS-LUJOEAJASA-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
- Androstane-skeleton
- 17-oxosteroid
- Oxosteroid
- Sulfuric acid ester
- Sulfuric acid monoester
- Sulfate-ester
- Alkyl sulfate
- Organic sulfuric acid or derivatives
- Ketone
- Hydrocarbon derivative
- Organic oxide
- Organooxygen compound
- Organic oxygen compound
- Carbonyl group
- 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 | |
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| Physical Properties |
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| State | Not Available |
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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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