| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-10-03 18:04:37 UTC |
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| Update Date | 2020-05-11 20:25:09 UTC |
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| BMDB ID | BMDB0010337 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 6-Dehydrotestosterone glucuronide |
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| Description | 6-Dehydrotestosterone glucuronide belongs to the class of organic compounds known as steroid glucuronide conjugates. These are sterol lipids containing a glucuronide moiety linked to the steroid skeleton. Thus, 6-dehydrotestosterone glucuronide is considered to be a steroid conjugate. Based on a literature review a significant number of articles have been published on 6-Dehydrotestosterone glucuronide. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 6,7-Didehydrotestosterone O-glucuronide | ChEBI | | 6-Dehydrotestosterone O-glucuronide | ChEBI | | 3-Oxoandrosta-4,6-dien-17beta-yl beta-D-glucopyranosiduronic acid | HMDB | | 3-Oxoandrosta-4,6-dien-17beta-yl beta-delta-glucopyranosiduronic acid | HMDB | | 6-Dehydrotestosterone 17-glucosiduronic acid | HMDB | | 6-Dehydrotestosterone 17-glucosiduronate | Generator |
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| Chemical Formula | C25H34O8 |
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| Average Molecular Weight | 462.5327 |
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| Monoisotopic Molecular Weight | 462.225368064 |
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| IUPAC Name | (2S,3S,4S,5R,6R)-6-{[(1S,2R,10R,11S,14S,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-6,8-dien-14-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid |
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| Traditional Name | (2S,3S,4S,5R,6R)-6-{[(1S,2R,10R,11S,14S,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-6,8-dien-14-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid |
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| CAS Registry Number | Not Available |
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| SMILES | [H][C@@]12CC[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@]12C |
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| InChI Identifier | InChI=1S/C25H34O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h3-4,11,14-21,23,27-29H,5-10H2,1-2H3,(H,30,31)/t14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1 |
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| InChI Key | GCIVSXAHMONYLO-HMAFJQTKSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as steroid glucuronide conjugates. These are sterol lipids containing a glucuronide moiety linked 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 | Steroidal glycosides |
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| Direct Parent | Steroid glucuronide conjugates |
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| Alternative Parents | |
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| Substituents | - Steroid-glucuronide-skeleton
- Androgen-skeleton
- Androstane-skeleton
- 3-oxosteroid
- Oxosteroid
- 1-o-glucuronide
- O-glucuronide
- Glucuronic acid or derivatives
- Hexose monosaccharide
- Glycosyl compound
- O-glycosyl compound
- Cyclohexenone
- Beta-hydroxy acid
- Monosaccharide
- Pyran
- Oxane
- Hydroxy acid
- Cyclic ketone
- Secondary alcohol
- Ketone
- Polyol
- Acetal
- Organoheterocyclic compound
- Carboxylic acid
- Carboxylic acid derivative
- Oxacycle
- Monocarboxylic acid or derivatives
- Organic oxygen compound
- Carbonyl group
- Hydrocarbon derivative
- Organic oxide
- Alcohol
- Organooxygen compound
- Aliphatic heteropolycyclic compound
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| Molecular Framework | Aliphatic heteropolycyclic 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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