| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:06:30 UTC |
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| Update Date | 2020-05-21 16:27:04 UTC |
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| BMDB ID | BMDB0003896 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 7-Dehydrodesmosterol |
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| Description | 7-Dehydrodesmosterol, also known as 24-dehydroprovitamin D3, belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core. Thus, 7-dehydrodesmosterol is considered to be a sterol. Based on a literature review a significant number of articles have been published on 7-Dehydrodesmosterol. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 24-Dehydroprovitamin D3 | ChEBI | | Cholesta-5,7,24-trien-3beta-ol | ChEBI | | Cholesta-5,7,24-triene-3beta-ol | ChEBI | | Cholesta-5,7,24-trien-3b-ol | Generator | | Cholesta-5,7,24-trien-3β-ol | Generator | | Cholesta-5,7,24-triene-3b-ol | Generator | | Cholesta-5,7,24-triene-3β-ol | Generator | | Cholesta-5,7,24-trien-3 beta-ol | HMDB |
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| Chemical Formula | C27H42O |
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| Average Molecular Weight | 382.6218 |
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| Monoisotopic Molecular Weight | 382.323565966 |
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| IUPAC Name | (1S,2R,5S,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-7,9-dien-5-ol |
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| Traditional Name | (1S,2R,5S,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-7,9-dien-5-ol |
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| CAS Registry Number | 1715-86-2 |
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| SMILES | [H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC=C(C)C |
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| InChI Identifier | InChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9-10,19,21,23-25,28H,6,8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1 |
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| InChI Key | RUSSPKPUXDSHNC-DDPQNLDTSA-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
- Cholesterol-skeleton
- 3-hydroxy-delta-5-steroid
- 3-hydroxy-delta-7-steroid
- 3-beta-hydroxysteroid
- 3-beta-hydroxy-delta-5-steroid
- 3-hydroxysteroid
- Hydroxysteroid
- Delta-7-steroid
- Delta-5-steroid
- Cyclic alcohol
- Secondary alcohol
- Alcohol
- Organic oxygen compound
- 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
- 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 | 6.101 | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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