Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03161"
| Predicate | Value (sorted: none) |
|---|---|
| rdfs:label |
"Thymidine-5'-Diphospho-Beta-D-Xylose"
|
| drugbank:description |
"
experimental
This compound belongs to the pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group.
Pyrimidine Nucleotide Sugars
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Glycosyl Compounds
Pyrimidine 2'-deoxyribonucleoside Diphosphates
Hexoses
Organic Pyrophosphates
Pyrimidones
Oxanes
Organic Phosphoric Acids
Hydropyrimidines
Organophosphate Esters
Tetrahydrofurans
Oxolanes
Secondary Alcohols
1,2-Diols
Ethers
Polyamines
pyrimidine deoxyribonucleotide
hexose monosaccharide
organic pyrophosphate
pyrimidone
phosphoric acid ester
organic phosphate
hydropyrimidine
pyrimidine
monosaccharide
oxane
oxolane
tetrahydrofuran
secondary alcohol
1,2-diol
polyol
polyamine
ether
amine
organonitrogen compound
alcohol
logP
-1.3
ALOGPS
logS
-1.7
ALOGPS
Water Solubility
1.13e+01 g/l
ALOGPS
logP
-3.1
ChemAxon
IUPAC Name
{[hydroxy({[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy})phosphoryl]oxy}({[(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphinic acid
ChemAxon
Traditional IUPAC Name
[(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)oxolan-2-yl]methoxy({hydroxy[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyphosphoryl}oxy)phosphinic acid
ChemAxon
Molecular Weight
534.303
ChemAxon
Monoisotopic Weight
534.065191132
ChemAxon
SMILES
CC1=CN([C@H]2C[C@@H](O)[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[C@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)O2)C(=O)NC1=O
ChemAxon
Molecular Formula
C15H24N2O15P2
ChemAxon
InChI
InChI=1S/C15H24N2O15P2/c1-6-3-17(15(23)16-13(6)22)10-2-7(18)9(30-10)5-29-33(24,25)32-34(26,27)31-14-12(21)11(20)8(19)4-28-14/h3,7-12,14,18-21H,2,4-5H2,1H3,(H,24,25)(H,26,27)(H,16,22,23)/t7-,8+,9+,10-,11-,12+,14-/m1/s1
ChemAxon
InChIKey
InChIKey=AJUADKZRQSBUAK-BYMGEYMMSA-N
ChemAxon
Polar Surface Area (PSA)
251.08
ChemAxon
Refractivity
103.34
ChemAxon
Polarizability
43.95
ChemAxon
Rotatable Bond Count
8
ChemAxon
H Bond Acceptor Count
12
ChemAxon
H Bond Donor Count
7
ChemAxon
pKa (strongest acidic)
1.73
ChemAxon
pKa (strongest basic)
-3.2
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
0
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
46936589
PubChem Substance
46505396
PDB
TDX
BE0002627
dTDP-glucose 4,6-dehydratase
Streptococcus mutans serotype c (strain ATCC 700610 / UA159)
unknown
dTDP-glucose 4,6-dehydratase
Involved in dTDP-glucose 4,6-dehydratase activity
dTDP-glucose = dTDP-4-dehydro-6-deoxy-D- glucose + H(2)O
rmlB
None
5.73
39281.0
Streptococcus mutans serotype c (strain ATCC 700610 / UA159)
GenBank Gene Database
D78182
UniProtKB
P95780
UniProt Accession
RMLB_STRMU
EC 4.2.1.46
>dTDP-glucose 4,6-dehydratase
MTEYKNIIVTGGAGFIGSNFVHYVYNNHPDVHVTVLDKLTYAGNRANLEEILGDRVELVV
GDIADSELVDKLAAKADAIVHYAAESHNDNSLKDPSPFIYTNFVGTYILLEAARKYDIRF
HHVSTDEVYGDLPLREDLPGHGEGPGEKFTAETKYNPSSPYSSTKAASDLIVKAWVRSFG
VKATISNCSNNYGPYQHIEKFIPRQITNILSGIKPKLYGEGKNVRDWIHTNDHSTGVWAI
LTKGRIGETYLIGADGEKNNKEVLELILEKMSQPKNAYDHVTDRAGHDLRYAIDSTKLRE
ELGWKPQFTNFEEGLEDTIKWYTEHEDWWKAEKEAVEANYAKTQKILN
>1047 bp
ATGACAGAATATAAAAACATTATCGTTACCGGTGGCGCTGGATTCATCGGTTCAAACTTT
GTCCACTACGTTTACAATAATCACCCAGATGTCCATGTGACTGTTCTTGACAAACTCACT
TACGCTGGTAACCATGCTAACCTTGAAGAAATTCTTGGCGACCGTGTAGAGTTGGTTGTT
GGGGACATCGCAGACAGCGAATTGGTAGATAAATTGGCTGCCAAAGCGGATGCTATTGTC
CACTATGCGGCTGAAAGCCACAATGACAATTCACTAAAAGATCCATCACCATTTATTTAC
ACTAACTTTGTTGGAACTTATACCTTGTTGGAAGCTGCACGCAAATACGACATCCGTTTC
CACCACGTCTCAACTGATGAAGTTTACGGTGATCTTCCGCTACGTGAAGATTTGCCGGGC
CACGGTGAAGGTCCGGGTGAAAAATTCACAGCTGAAACGAAATACAATCCATCATCGCCT
TATTCATCAACCAAGGCAGCCTCTGACTTGATTGTCAAGGCTTGGGTGCGATCTTTTGGT
GTGAAAGCAACCATTTCCAACTGTTCAAACAACTATGGACCTTACCAACACATCGAAAAA
TTCATTCCGCGCCAAATTACTAACATCCTGTCAGGTATCAAACCAAAACTCTATGGTGAA
GGTAAGAACGTGCGTGACTGGATTCACACCAATGACCATTCAACAGGAGTTTGGGCAATT
CTCACTAAAGGCCGCATCGGCGAAACTTATCTCATCGGTGCTGATGGTGAAAAGAACAAC
AAAGAAGTGCTCGAACTTATCCTTGAAAAAATGAGTCAGCCAAAAGACGCATACGACCAT
GTAACAGACCGTGCAGGTCATGATCTTCGTTATGCCATTGATTCGACAAAGCTGCGTGAG
GAACTTGGCTGGAAACCACAATTCACTAATTTTGAAGAAGGCTTGGAAGATACCATTAAA
TGGTATACTGAGCATGAAGATTGGTGGAAAGCTGAAAAGGAAGCAGTCGAAGCCAACTAT
GCCAAAACACAAAAAATACTTAATTAA
PF01370
Epimerase
function
catalytic activity
function
dTDP-glucose 4,6-dehydratase activity
function
lyase activity
function
cofactor binding
function
coenzyme binding
function
carbon-oxygen lyase activity
function
hydro-lyase activity
function
binding
function
NAD binding
process
nucleotide-sugar metabolism
process
metabolism
process
cellular metabolism
process
nucleobase, nucleoside, nucleotide and nucleic acid metabolism
process
physiological process
BE0002995
DTDP-4-dehydrorhamnose 3,5-epimerase
Streptococcus suis
unknown
DTDP-4-dehydrorhamnose 3,5-epimerase
Involved in dTDP-4-dehydrorhamnose 3,5-epimerase activity
rmlC
None
4.65
22463.0
Streptococcus suis
GenBank Gene Database
AJ509828
UniProtKB
Q8GIQ0
UniProt Accession
Q8GIQ0_STRSU
EC 5.1.3.13
>DTDP-4-dehydrorhamnose 3,5-epimerase
MTENFFGKTLAARPVEAIPGMLEFDIPVHGDNRGWFKENFQKEKMLPLGFPESFFAEGKL
QNNVSFSRKNVLRGLHAEPWDKYISVADGGKVLGTWVDLREGETFGNTYQTVIDASKSIF
VPRGVANGFQVLSDFVAYSYLVNDYWALELKPKYAFVNYADPSLDIKWENLEEAEVSEAD
ENHPFLKDVKPLRKEDL
>594 bp
ATGACAGAAAACTTTTTCGGTAAAACACTAGCAGCTCGCCCAGTTGAAGCTATTCCAGGA
ATGTTAGAATTTGACATTCCTGTTCATGGCGACAACCGTGGCTGGTTTAAGGAGAACTTC
CAAAAGGAAAAAATGTTGCCTCTCGGCTTTCCTGAAAGCTTCTTTGCAGAAGGAAAATTG
CAGAATAATGTTTCCTTCTCTCGTAAAAACGTTCTTCGTGGTCTTCACGCAGAGCCTTGG
GATAAATACATTTCAGTAGCAGACGGCGGTAAGGTTTTGGGAACTTGGGTCGATCTACGT
GAAGGCGAAACCTTCGGTAATACCTACCAAACCGTTATCGATGCTTCAAAAAGTATCTTC
GTTCCGCGCGGAGTAGCCAATGGTTTCCAAGTCTTGTCAGATTTCGTGGCTTACAGCTAC
TTGGTTAACGACTACTGGGCTTTGGAACTCAAGCCTAAGTATGCTTTCGTCAACTACGCT
GACCCTAGCCTCGACATCAAGTGGGAAAACCTAGAAGAAGCAGAAGTTTCAGAAGCAGAT
GAAAACCACCCATTCCTCAAGGACGTCAAGCCTTTGAGAAAAGAGGACCTCTAA
PF00908
dTDP_sugar_isom
function
isomerase activity
function
racemase and epimerase activity
function
racemase and epimerase activity, acting on carbohydrates and derivatives
function
dTDP-4-dehydrorhamnose 3,5-epimerase activity
function
catalytic activity
process
metabolism
process
macromolecule metabolism
process
macromolecule biosynthesis
process
carbohydrate biosynthesis
process
polysaccharide biosynthesis
process
lipopolysaccharide biosynthesis
process
physiological process
"
|
| owl:sameAs | |
| rdf:type |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object