| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:46:25 UTC |
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| Update Date | 2020-04-22 15:08:19 UTC |
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| BMDB ID | BMDB0001471 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Epipregnanolone |
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| Description | Epipregnanolone belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety. Thus, epipregnanolone is considered to be a steroid. Based on a literature review a significant number of articles have been published on Epipregnanolone. |
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| Structure | |
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| Synonyms | | Value | Source |
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| (3beta,5beta)-3-Hydroxypregnan-20-one | ChEBI | | 3beta-Hydroxy-5beta-pregnane-20-one | ChEBI | | 3beta-Hydroxy-5beta-tetrahydroprogesterone | ChEBI | | (3b,5b)-3-Hydroxypregnan-20-one | Generator | | (3Β,5β)-3-hydroxypregnan-20-one | Generator | | 3b-Hydroxy-5b-pregnane-20-one | Generator | | 3Β-hydroxy-5β-pregnane-20-one | Generator | | 3b-Hydroxy-5b-tetrahydroprogesterone | Generator | | 3Β-hydroxy-5β-tetrahydroprogesterone | Generator | | 3-deoxo-3b-Hydroxy-5b-dihydroprogesterone | HMDB | | 3b,5b-Pregnanolone | HMDB | | 3b-Hydroxy-5b-pregnan-20-one | HMDB, Generator | | 5b-Pregnan-3b-ol-20-one | HMDB | | 5b-Pregnane-3b-hydroxy-20-one | HMDB | | 5b-Pregnane-3b-ol-20-one | HMDB | | Pregnanolone I | HMDB | | 3-Hydroxypregnan-20-one | MeSH, HMDB | | Pregnanolone, (3beta)-isomer | MeSH, HMDB | | 3 Hydroxypregnan 20 one | MeSH, HMDB | | Epipregnanolone | ChEBI | | 3Β-hydroxy-5β-pregnan-20-one | Generator, HMDB | | 3-Deoxo-3beta-hydroxy-5beta-dihydroprogesterone | HMDB | | 3-Deoxo-3β-hydroxy-5β-dihydroprogesterone | HMDB | | 3beta,5beta-Pregnanolone | HMDB | | 3beta-Hydroxy-5beta-pregnan-20-one | HMDB | | 3β,5β-Pregnanolone | HMDB | | 5beta-Pregnan-3beta-ol-20-one | HMDB | | 5beta-Pregnane-3beta-hydroxy-20-one | HMDB | | 5beta-Pregnane-3beta-ol-20-one | HMDB | | 5β-Pregnan-3β-ol-20-one | HMDB | | 5β-Pregnane-3β-hydroxy-20-one | HMDB | | 5β-Pregnane-3β-ol-20-one | HMDB |
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| Chemical Formula | C21H34O2 |
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| Average Molecular Weight | 318.4935 |
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| Monoisotopic Molecular Weight | 318.255880332 |
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| IUPAC Name | 1-[(1S,2S,5S,7R,10R,11S,14S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]ethan-1-one |
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| Traditional Name | 1-[(1S,2S,5S,7R,10R,11S,14S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]ethanone |
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| CAS Registry Number | 128-21-2 |
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| SMILES | [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(C)=O |
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| InChI Identifier | InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16+,17-,18+,19+,20+,21-/m1/s1 |
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| InChI Key | AURFZBICLPNKBZ-GRWISUQFSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety. |
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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 | Pregnane steroids |
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| Direct Parent | Gluco/mineralocorticoids, progestogins and derivatives |
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| Alternative Parents | |
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| Substituents | - Progestogin-skeleton
- 20-oxosteroid
- 3-hydroxysteroid
- Hydroxysteroid
- 3-beta-hydroxysteroid
- Oxosteroid
- Cyclic alcohol
- Ketone
- Secondary alcohol
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Carbonyl group
- Alcohol
- 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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