MiMeDB: Showing metabocard for UDP-N-2-acetamido-2-deoxy-alpha-D-glucuronic acid (MMDBc0056355)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2022-06-17 20:23:36 UTC

Update Date

2022-08-12 20:09:41 UTC

MiMeDB ID

MMDBc0056355

Metabolite Identification

Common Name

UDP-N-2-acetamido-2-deoxy-alpha-D-glucuronic acid

Description

UDP-2-acetamido-2-deoxy-alpha-D-glucuronate(3-), also known as UDP-N-2-acetamido-2-deoxy-a-D-glucuronic acid, 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-2-acetamido-2-deoxy-alpha-D-glucuronate(3-).

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(2S,3S,4R,5R,6R)-5-Acetamido-6-({[({[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}phosphinato)oxy]phosphinato}oxy)-3,4-dihydroxytetrahydro-2H-pyran-2-carboxylate	ChEBI
UDP-N-2-Acetamido-2-deoxy-alpha-D-glucuronate	ChEBI
(2S,3S,4R,5R,6R)-5-Acetamido-6-({[({[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}phosphinato)oxy]phosphinato}oxy)-3,4-dihydroxytetrahydro-2H-pyran-2-carboxylic acid	Generator
UDP-N-2-Acetamido-2-deoxy-a-D-glucuronate	Generator
UDP-N-2-Acetamido-2-deoxy-a-D-glucuronic acid	Generator
UDP-N-2-Acetamido-2-deoxy-alpha-D-glucuronic acid	Generator
UDP-N-2-Acetamido-2-deoxy-α-D-glucuronate	Generator
UDP-N-2-Acetamido-2-deoxy-α-D-glucuronic acid	Generator
UDP-2-Acetamido-2-deoxy-a-D-glucuronate(3-)	Generator
UDP-2-Acetamido-2-deoxy-a-D-glucuronic acid(3-)	Generator
UDP-2-Acetamido-2-deoxy-alpha-D-glucuronic acid(3-)	Generator
UDP-2-Acetamido-2-deoxy-α-D-glucuronate(3-)	Generator
UDP-2-Acetamido-2-deoxy-α-D-glucuronic acid(3-)	Generator

Chemical Formula

C₁₇H₂₂N₃O₁₈P₂

Average Molecular Weight

618.315

Monoisotopic Molecular Weight

618.039005616

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C17H25N3O18P2/c1-5(21)18-8-10(24)11(25)13(15(27)28)36-16(8)37-40(32,33)38-39(30,31)34-4-6-9(23)12(26)14(35-6)20-3-2-7(22)19-17(20)29/h2-3,6,8-14,16,23-26H,4H2,1H3,(H,18,21)(H,27,28)(H,30,31)(H,32,33)(H,19,22,29)/p-3/t6-,8-,9-,10-,11+,12-,13+,14-,16-/m1/s1

InChI Key

DZOGQXKQLXAPND-HHKCBAECSA-K

Chemical Taxonomy

Description

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.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Pyrimidine nucleotides

Sub Class

Pyrimidine nucleotide sugars

Direct Parent

Pyrimidine nucleotide sugars

Alternative Parents

Substituents

Pyrimidine nucleotide sugar
Pyrimidine ribonucleoside diphosphate
Pentose-5-phosphate
Pentose phosphate
N-acyl-alpha-hexosamine
Glycosyl compound
N-glycosyl compound
Monosaccharide phosphate
Organic pyrophosphate
Beta-hydroxy acid
Pyrimidone
Hydropyrimidine
Phosphoric acid ester
Pyran
Hydroxy acid
Organic phosphoric acid derivative
Alkyl phosphate
Oxane
Monosaccharide
Pyrimidine
Tetrahydrofuran
Vinylogous amide
Acetamide
Heteroaromatic compound
Carboxamide group
Lactam
Urea
Secondary carboxylic acid amide
Secondary alcohol
Carboxylic acid derivative
Organoheterocyclic compound
Azacycle
Oxacycle
Monocarboxylic acid or derivatives
Carboxylic acid
Alcohol
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Organic anion
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

UDP-2-acetamido-2-deoxy-D-glucuronate(3-) (CHEBI:65040 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Not Available

Spectra

Not Available

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Proteins

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Related Health Condition	Evidence Type	Measured in Matrix	Data Source	Reference

Microbial Sources

Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
	Proteobacteria	1	Human

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference	Details

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

28184755

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

57339212

PDB ID

Not Available

ChEBI ID

65040

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for UDP-N-2-acetamido-2-deoxy-alpha-D-glucuronic acid (MMDBc0056355)

MOL for #<Metabolite:0x00007f092019edc8>

3D MOL for #<Metabolite:0x00007f092019edc8>

3D SDF for #<Metabolite:0x00007f092019edc8>

3D-SDF for #<Metabolite:0x00007f092019edc8>

PDB for #<Metabolite:0x00007f092019edc8>

3D PDB for #<Metabolite:0x00007f092019edc8>

SMILES for #<Metabolite:0x00007f092019edc8>

INCHI for #<Metabolite:0x00007f092019edc8>

Structure for #<Metabolite:0x00007f092019edc8>

3D Structure for #<Metabolite:0x00007f092019edc8>