ChemFOnt: Showing chemical card for UDP-D-galactose(2-) (CFc000042985)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 19:45:48 UTC

Chemfont ID

CFc000042985

Molecule Identification

Common Name

UDP-D-galactose(2-)

Definition

UDP-D-galactose(2-) is also known as UDP-D-Galactose dianion. UDP-D-galactose(2-) is considered to be soluble (in water) and acidic. UDP-D-galactose(2-) may be a unique E.coli metabolite

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
UDP Galactose	ChEBI
UDP-alpha-D-Galactopyranose	ChEBI
UDP-D-Galactopyranose	ChEBI
UDP-Galactose	ChEBI
Uridine diphosphate galactose	ChEBI
Uridine diphosphogalactose	ChEBI
Uridine pyrophosphogalactose	ChEBI
Uridinediphosphogalactose	ChEBI
UDP-a-D-Galactopyranose	Generator
UDP-α-D-galactopyranose	Generator
Uridine diphosphoric acid galactose	Generator
GDU	HMDB
UDP-a-D-Galactose	HMDB
UDP-alpha-D-Galactose	HMDB
UDP-D-galactose	HMDB
UDP-D-Galactose	HMDB
UDP-Gal	HMDB
UDP-galactopyranose	HMDB
Udpgal	HMDB, MeSH
UDPgalactose	HMDB
UPG	HMDB
Uridine 5'-(alpha-D-galactopyranosyl pyrophosphate)	HMDB
Uridine 5'-diphosphate galactose	HMDB
Uridine 5'-diphosphogalactose	HMDB
Uridine 5'-pyrophosphate a-D-galactopyranosyl ester	HMDB
Uridine 5'-pyrophosphate a-D-galactosyl ester	HMDB
Uridine 5'-pyrophosphate alpha-D-galactosyl ester	HMDB
Uridine 5'-pyrophosphate D-galactosyl ester	HMDB
Uridine 5'-[3-(D-galactopyranosyl) dihydrogen diphosphate]	HMDB
Uridine diphosphate-D-galactose	HMDB
Uridine diphosphate-galactose	HMDB
Uridine pyrophosphate a-D-galactopyranosyl ester	HMDB
Uridine pyrophosphate alpha-D-galactopyranosyl ester	HMDB
Uridinediphosphate galactose	HMDB
Diphosphate galactose, uridine	MeSH, HMDB
Diphosphogalactose, uridine	MeSH, HMDB
Galactose, UDP	MeSH, HMDB
Galactose, uridine diphosphate	MeSH, HMDB
Pyrophosphogalactose, uridine	MeSH, HMDB
UDP-α-D-Galactose	HMDB
Uridine 5'-(α-D-galactopyranosyl pyrophosphate)	HMDB
Uridine 5’-(α-D-galactopyranosyl pyrophosphate)	HMDB
Uridine 5’-diphosphate galactose	HMDB
Uridine 5’-diphosphogalactose	HMDB

Chemical Formula

C₁₅H₂₄N₂O₁₇P₂

Average Molecular Weight

566.3018

Monoisotopic Molecular Weight

566.055020376

IUPAC Name

[({[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphinic acid

Traditional Name

{[(2R,3S,4R,5R)-5-(2,4-dioxo-3H-pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy([(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy)phosphinic acid

CAS Registry Number

2956-16-3

SMILES

OC[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@H](O)[C@@H](O)[C@H]1O

InChI Identifier

InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8+,9-,10+,11-,12-,13-,14-/m1/s1

InChI Key

HSCJRCZFDFQWRP-ABVWGUQPSA-N

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 phosphate
Pentose-5-phosphate
Glycosyl compound
N-glycosyl compound
Monosaccharide phosphate
Organic pyrophosphate
Hydroxypyrimidine
Pyrimidone
Monoalkyl phosphate
Hydropyrimidine
Monosaccharide
Organic phosphoric acid derivative
Oxane
Phosphoric acid ester
Pyrimidine
Alkyl phosphate
Heteroaromatic compound
Tetrahydrofuran
Secondary alcohol
Oxacycle
Polyol
Organoheterocyclic compound
Azacycle
Primary alcohol
Organonitrogen compound
Organic nitrogen compound
Organooxygen compound
Hydrocarbon derivative
Alcohol
Organic oxygen compound
Organopnictogen compound
Organic oxide
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

UDP-D-galactose (CHEBI:67119 )

Functional Ontology

Not Available

Exogenous (HMDB: HMDB0062573)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Lipopolysaccharide Biosynthesis (PathBank: SMP0121299)
Lipopolysaccharide Biosynthesis II (PathBank: SMP0122112)
Lipopolysaccharide Biosynthesis III (PathBank: SMP0122237)
O-Antigen Building Blocks Biosynthesis (PathBank: SMP0122253)

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	15 g/L	ALOGPS
logP	-1.4	ALOGPS
logP	-5	ChemAxon
logS	-1.6	ALOGPS
pKa (Strongest Acidic)	1.73	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	291.54 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	106.46 m³·mol⁻¹	ChemAxon
Polarizability	45.42 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon