| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-17 19:20:10 UTC |
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| Updated at | 2020-11-18 16:39:32 UTC |
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| CannabisDB ID | CDB005208 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | UDP-D-Xylose |
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| Description | UDP-D-Xylose, also known as UDP xylose or UDP-alpha, belongs to the class of organic compounds known as methionine and derivatives. Methionine and derivatives are compounds containing methionine or a derivative thereof resulting from reaction of methionine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. UDP-D-Xylose is an extremely weak basic (essentially neutral) compound (based on its pKa). UDP-D-xylose can be biosynthesized from uridine diphosphate glucuronic acid through its interaction with the enzyme UDP-glucuronic acid decarboxylase 1. In humans, UDP-D-xylose is involved in the metabolic disorder called galactosemia II (galk). UDP-D-Xylose is expected to be in Cannabis as all living plants are known to produce and metabolize it. |
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| Structure | |
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| Synonyms | | Value | Source |
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| alpha-D-Xylopyranosyl ester | HMDB | | alpha-delta-Xylopyranosyl ester | HMDB | | UDP Xylose | HMDB | | UDP-alpha | HMDB | | UDP-delta-Xylose | HMDB | | Uridine diphosphate xylose | HMDB |
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| Chemical Formula | C14H22N2O16P2 |
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| Average Molecular Weight | 536.28 |
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| Monoisotopic Molecular Weight | 536.0445 |
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| IUPAC Name | {[(2R,3S,4R)-3,4-dihydroxy-5-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}({[hydroxy({[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy})phosphoryl]oxy})phosphinic acid |
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| Traditional Name | [(2R,3S,4R)-3,4-dihydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy([hydroxy([(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy)phosphoryl]oxy)phosphinic acid |
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| CAS Registry Number | 3616-06-6 |
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| SMILES | O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OC2OC[C@@H](O)[C@H](O)[C@H]2O)OC([C@@H]1O)N1C=CC(=O)NC1=O |
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| InChI Identifier | InChI=1S/C14H22N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,5-6,8-13,17,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t5-,6-,8+,9-,10-,11-,12?,13?/m1/s1 |
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| InChI Key | DQQDLYVHOTZLOR-QDHANXEVSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as methionine and derivatives. Methionine and derivatives are compounds containing methionine or a derivative thereof resulting from reaction of methionine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Carboxylic acids and derivatives |
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| Sub Class | Amino acids, peptides, and analogues |
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| Direct Parent | Methionine and derivatives |
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| Alternative Parents | |
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| Substituents | - Methionine or derivatives
- N-acyl-l-alpha-amino acid
- N-formyl-alpha-amino acid
- N-formyl-alpha amino acid or derivatives
- Thia fatty acid
- Fatty acid
- Fatty acyl
- Carboxamide group
- Secondary carboxylic acid amide
- Dialkylthioether
- Sulfenyl compound
- Thioether
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Hydrocarbon derivative
- Organic oxide
- Organosulfur compound
- Organooxygen compound
- Organonitrogen compound
- Carbonyl group
- Organopnictogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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| Ontology |
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|
Not Available | | 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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| EI-MS/GC-MS | | Type | Description | Splash Key | View |
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| Predicted GC-MS | UDP-D-Xylose, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-016r-4936760000-00f37a38fe624376e23d | Spectrum | | Predicted GC-MS | UDP-D-Xylose, 2 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0690-5941635000-1aa68e9b8684d9615e1e | Spectrum |
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