| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-10-03 18:04:51 UTC |
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| Update Date | 2020-05-11 20:25:18 UTC |
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| BMDB ID | BMDB0010349 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Estradiol-17alpha 3-D-glucuronoside |
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| Description | Estradiol-17alpha 3-D-glucuronoside, also known as 17alpha-estradiol 3-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, estradiol-17alpha 3-D-glucuronoside is considered to be a steroid conjugate. Based on a literature review very few articles have been published on Estradiol-17alpha 3-D-glucuronoside. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 17alpha-Estradiol 3-glucuronide | ChEBI | | 17a-Estradiol 3-glucuronide | Generator | | 17Α-estradiol 3-glucuronide | Generator | | Estradiol-17a 3-D-glucuronoside | Generator | | Estradiol-17α 3-D-glucuronoside | Generator | | (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[[(17R)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]tetrahydropyran-2-carboxylic acid | HMDB | | 17a-Estradiol 3-glucosiduronate | HMDB, Generator | | 17a-Estradiol 3-glucosiduronic acid | HMDB, Generator | | 17a-Hydroxyestra-1,3,5(10)-trien-3-yl b-D-glucopyranosiduronate | HMDB | | 17a-Hydroxyestra-1,3,5(10)-trien-3-yl b-D-glucopyranosiduronic acid | HMDB | | 17a-Hydroxyestra-1,3,5(10)-trien-3-yl b-delta-glucopyranosiduronate | HMDB | | 17a-Hydroxyestra-1,3,5(10)-trien-3-yl b-delta-glucopyranosiduronic acid | HMDB | | 17alpha-Estradiol 3-glucosiduronate | HMDB, Generator | | 17alpha-Estradiol 3-glucosiduronic acid | HMDB | | 17alpha-Hydroxyestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronate | HMDB | | 17alpha-Hydroxyestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronic acid | HMDB | | 17alpha-Hydroxyestra-1,3,5(10)-trien-3-yl beta-delta-glucopyranosiduronate | HMDB | | 17alpha-Hydroxyestra-1,3,5(10)-trien-3-yl beta-delta-glucopyranosiduronic acid | HMDB | | Estradiol-17a 3-delta-glucuronoside | HMDB | | Estradiol-17alpha 3-delta-glucuronoside | HMDB | | Estradiol-17alpha 3-D-glucuronoside | ChEBI | | 17Α-estradiol 3-glucosiduronate | Generator | | 17Α-estradiol 3-glucosiduronic acid | Generator |
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| Chemical Formula | C24H32O8 |
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| Average Molecular Weight | 448.5061 |
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| Monoisotopic Molecular Weight | 448.209718 |
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| IUPAC Name | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(1S,10R,11S,14R,15S)-14-hydroxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-trien-5-yl]oxy}oxane-2-carboxylic acid |
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| Traditional Name | 17α-estradiol 3-glucuronide |
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| CAS Registry Number | Not Available |
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| SMILES | [H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=C3 |
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| InChI Identifier | InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,17-,18+,19+,20-,21+,23-,24+/m1/s1 |
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| InChI Key | MUOHJTRCBBDUOW-FNUZHIFDSA-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
- Estrane-skeleton
- Hydroxysteroid
- 17-hydroxysteroid
- Fatty acyl glycoside
- Phenolic glycoside
- Fatty acyl glycoside of mono- or disaccharide
- 1-o-glucuronide
- O-glucuronide
- Phenanthrene
- Glucuronic acid or derivatives
- Alkyl glycoside
- O-glycosyl compound
- Glycosyl compound
- Tetralin
- Beta-hydroxy acid
- Fatty acyl
- Pyran
- Benzenoid
- Oxane
- Monosaccharide
- Hydroxy acid
- Cyclic alcohol
- Secondary alcohol
- Polyol
- Organoheterocyclic compound
- Carboxylic acid derivative
- Carboxylic acid
- Acetal
- Monocarboxylic acid or derivatives
- Oxacycle
- Alcohol
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Carbonyl group
- Organooxygen compound
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic 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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