| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:27:06 UTC |
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| Update Date | 2020-04-22 15:18:55 UTC |
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| BMDB ID | BMDB0006876 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | dTDP-D-galactose |
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| Description | dTDP-D-galactose belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core. Based on a literature review very few articles have been published on dTDP-D-galactose. |
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| Structure | |
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| Synonyms | | Value | Source |
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| Deoxythymidine diphosphate-D-galactose | HMDB | | Thymidine 5'-[3-(D-galactopyranosyl) dihydrogen diphosphate] | HMDB | | dTDP-D-Galactose | KEGG |
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| Chemical Formula | C16H26N2O16P2 |
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| Average Molecular Weight | 564.329 |
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| Monoisotopic Molecular Weight | 564.075755818 |
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| IUPAC Name | {[hydroxy({[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphoryl]oxy}({[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphinic acid |
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| Traditional Name | [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)oxolan-2-yl]methoxy({hydroxy[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphoryl}oxy)phosphinic acid |
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| CAS Registry Number | 5817-97-0 |
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| SMILES | CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)O2)C(=O)NC1=O |
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| InChI Identifier | InChI=1S/C16H26N2O16P2/c1-6-3-18(16(25)17-14(6)24)10-2-7(20)9(31-10)5-30-35(26,27)34-36(28,29)33-15-13(23)12(22)11(21)8(4-19)32-15/h3,7-13,15,19-23H,2,4-5H2,1H3,(H,26,27)(H,28,29)(H,17,24,25)/t7-,8+,9+,10+,11-,12-,13+,15+/m0/s1 |
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| InChI Key | YSYKRGRSMLTJNL-OAOVJFGZSA-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-skeleton
- 3-oxosteroid
- 12-hydroxysteroid
- Hydroxysteroid
- Oxosteroid
- 7-hydroxysteroid
- Cyclic alcohol
- Ketone
- Secondary alcohol
- Cyclic ketone
- Carbonyl group
- Organooxygen compound
- Alcohol
- Organic oxygen compound
- Hydrocarbon derivative
- Organic oxide
- Aliphatic homopolycyclic compound
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| Molecular Framework | Aliphatic homopolycyclic compounds |
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| External Descriptors | Not Available |
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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 | Not Available |
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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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