Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03641"
| Predicate | Value (sorted: none) |
|---|---|
| rdf:type | |
| owl:sameAs | |
| ns1:description |
"
experimental
This compound belongs to the pyrimidine 2'-deoxyribonucleosides and analogues. These are compounds consisting of a pyrimidine linked to a ribose which lacks an hydroxyl group at position 2.
Pyrimidine 2'-deoxyribonucleosides and Analogues
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Glycosyl Compounds
Pentoses
Pyrimidones
Hydropyrimidines
Organophosphate Esters
Tetrahydrofurans
Oxolanes
Secondary Alcohols
Polyamines
Ethers
pentose monosaccharide
pyrimidone
hydropyrimidine
phosphoric acid ester
pyrimidine
monosaccharide
oxolane
tetrahydrofuran
secondary alcohol
polyamine
ether
amine
organonitrogen compound
alcohol
2,4(1h,3h)-pyrimidinedione, 1-[2-deoxy-5-o-[hydroxy(phosphonoamino)phosphinyl]-beta-d-erythro-pentofuranosyl]-
logP
-1.3
ALOGPS
logS
-1.7
ALOGPS
Water Solubility
7.58e+00 g/l
ALOGPS
logP
-2.8
ChemAxon
IUPAC Name
[({[(2S,3R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)amino]phosphonic acid
ChemAxon
Traditional IUPAC Name
{[(2S,3R,5R)-5-(2,4-dioxo-3H-pyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}aminophosphonic acid
ChemAxon
Molecular Weight
387.177
ChemAxon
Monoisotopic Weight
387.023266739
ChemAxon
SMILES
O[C@@H]1C[C@@H](O[C@H]1CO[P@@](O)(=O)NP(O)(O)=O)N1C=CC(=O)NC1=O
ChemAxon
Molecular Formula
C9H15N3O10P2
ChemAxon
InChI
InChI=1S/C9H15N3O10P2/c13-5-3-8(12-2-1-7(14)10-9(12)15)22-6(5)4-21-24(19,20)11-23(16,17)18/h1-2,5-6,8,13H,3-4H2,(H,10,14,15)(H4,11,16,17,18,19,20)/t5-,6+,8-/m1/s1
ChemAxon
InChIKey
InChIKey=COFNIXBQVWFHTR-GKROBHDKSA-N
ChemAxon
Polar Surface Area (PSA)
194.96
ChemAxon
Refractivity
74.75
ChemAxon
Polarizability
30.62
ChemAxon
Rotatable Bond Count
6
ChemAxon
H Bond Acceptor Count
9
ChemAxon
H Bond Donor Count
6
ChemAxon
pKa (strongest acidic)
1.06
ChemAxon
pKa (strongest basic)
-3.2
ChemAxon
Physiological Charge
-3
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
PubChem Compound
46936740
PubChem Substance
46506709
PDB
DUN
BE0003137
DUTPase
Campylobacter jejuni subsp. jejuni serotype O:2 (strain NCTC 11168)
unknown
DUTPase
dut
None
4.68
27022.0
Campylobacter jejuni subsp. jejuni serotype O:2 (strain NCTC 11168)
GenBank Gene Database
AL111168
UniProtKB
Q0P8G4
UniProt Accession
Q0P8G4_CAMJE
EC 3.6.1.23
>DUTPase
MTNIEILENMLKLQQKLNDETNGLNWENGYTKEGKLISWRRCIYMECAELIDSFTWKHWK
NISSLTNWENVRIEIVDIWHFILSLLLEEYRDKNNKDFKAIATEVNAVSVFQDFCKEEEY
PNEGDIYGILNDIELIIHKCSGFGFNLGELLSTYFTLAIKCGLNLEILYKTYIGKNVLNI
FRQNNGYKDGSYKKTWNGKEDNEVLAQILEQELDFDTIYKKLEECYKKA
>690 bp
ATGACAAATATCGAAATTTTAGAAAATATGCTCAAACTCCAACAAAAACTCAACGATGAA
ACAAACGGCTTAAATTGGGAAAATGGCTACACCAAAGAAGGAAAACTGATCAGTTGGAGA
CGCTGTATTTATATGGAATGTGCAGAACTTATAGACTCTTTTACATGGAAACATTGGAAA
AATATTTCAAGTCTAACAAATTGGGAAAATGTGCGTATAGAGATTGTCGATATTTGGCAT
TTTATTTTAAGTCTTTTACTTGAAGAGTATCGCGATAAAAACAATAAAGATTTCAAAGCT
ATAGCCACAGAAGTTAATGCTGTAAGCGTGTTTCAAGATTTTTGCAAAGAAGAAGAATAC
CCTAATGAGGGTGATATTTATGGCATTTTAAATGATATAGAGCTTATTATCCATAAATGC
AGTGGTTTTGGATTTAATCTTGGAGAATTACTTTCAACCTATTTTACCCTAGCTATTAAA
TGTGGGCTAAATCTTGAAATTCTTTATAAGACCTACATAGGTAAAAATGTTTTAAATATT
TTTAGACAAAACAATGGTTACAAAGATGGCAGCTATAAAAAAACTTGGAATGGCAAAGAA
GACAATGAAGTTTTAGCTCAAATTTTAGAACAAGAGCTTGATTTTGATACTATTTATAAA
AAACTAGAAGAATGCTACAAAAAGGCATAA
"
|
| rdfs:label |
"2'-deoxyuridine 5'-alpha,beta-imido-diphosphate"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object