| Record Information |
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| Version | 2.0 |
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| Created at | 2024-09-12 00:27:36 UTC |
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| Updated at | 2024-09-12 00:27:36 UTC |
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| NP-MRD ID | NP0339959 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | UDP-α-D-sulfoquinovopyranose |
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| Description | UDP-α-D-sulfoquinovopyranose belongs to the class of organic compounds known as pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group. Based on a literature review very few articles have been published on UDP-α-D-sulfoquinovopyranose. |
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| Structure | OC1C(O)C(OC1COP([O-])(=O)OP([O-])(=O)OC1OC(CS([O-])(=O)=O)C(O)C(O)C1O)N1C=CC(=O)NC1=O InChI=1/C15H24N2O19P2S/c18-7-1-2-17(15(24)16-7)13-11(22)8(19)5(33-13)3-32-37(25,26)36-38(27,28)35-14-12(23)10(21)9(20)6(34-14)4-39(29,30)31/h1-2,5-6,8-14,19-23H,3-4H2,(H,25,26)(H,27,28)(H,16,18,24)(H,29,30,31)/p-3 |
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| Synonyms | | Value | Source |
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| UDP-Α-D-sulphoquinovopyranose | Generator |
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| Chemical Formula | C15H21N2O19P2S |
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| Average Mass | 627.3400 Da |
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| Monoisotopic Mass | 626.99509 Da |
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| IUPAC Name | (6-{[({[5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)(oxido)phosphoryl]oxy}-3,4,5-trihydroxyoxan-2-yl)methanesulfonate |
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| Traditional Name | {6-[({[5-(2,4-dioxo-3H-pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy(oxido)phosphoryl)oxy]-3,4,5-trihydroxyoxan-2-yl}methanesulfonate |
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| CAS Registry Number | Not Available |
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| SMILES | OC1C(O)C(OC1COP([O-])(=O)OP([O-])(=O)OC1OC(CS([O-])(=O)=O)C(O)C(O)C1O)N1C=CC(=O)NC1=O |
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| InChI Identifier | InChI=1/C15H24N2O19P2S/c18-7-1-2-17(15(24)16-7)13-11(22)8(19)5(33-13)3-32-37(25,26)36-38(27,28)35-14-12(23)10(21)9(20)6(34-14)4-39(29,30)31/h1-2,5-6,8-14,19-23H,3-4H2,(H,25,26)(H,27,28)(H,16,18,24)(H,29,30,31)/p-3 |
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| InChI Key | FQANCGQCBCUSMI-UHFFFAOYNA-K |
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| Experimental Spectra |
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| Not Available | | Predicted Spectra |
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| Not Available | | Chemical Shift Submissions |
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| Not Available | | Species |
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| Species of Origin | Not Available |
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| Chemical Taxonomy |
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| Description | This compound belongs to the class of organic compounds known as pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group. |
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| Kingdom | Organic compounds |
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| Super Class | Nucleosides, nucleotides, and analogues |
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| Class | Pyrimidine nucleotides |
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| Sub Class | Pyrimidine nucleotide sugars |
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| Direct Parent | Pyrimidine nucleotide sugars |
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| Alternative Parents | |
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| Substituents | - Pyrimidine nucleotide sugar
- Pyrimidine ribonucleoside diphosphate
- Pentose phosphate
- Pentose-5-phosphate
- Glycosyl compound
- N-glycosyl compound
- Organic pyrophosphate
- Monosaccharide phosphate
- Pyrimidone
- Hydropyrimidine
- Organic phosphoric acid derivative
- Oxane
- Phosphoric acid ester
- Monosaccharide
- Alkyl phosphate
- Pyrimidine
- Heteroaromatic compound
- Vinylogous amide
- Alkanesulfonic acid
- Tetrahydrofuran
- Sulfonyl
- Organic sulfonic acid or derivatives
- Organosulfonic acid or derivatives
- Organosulfonic acid
- Urea
- Secondary alcohol
- Lactam
- Azacycle
- Organoheterocyclic compound
- Polyol
- Oxacycle
- Alcohol
- Organic nitrogen compound
- Organonitrogen compound
- Organooxygen compound
- Organosulfur compound
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Organic anion
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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| External Descriptors | |
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| Physical Properties |
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| State | Not Available |
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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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