Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04352"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"[(2r,3s,4s,5r)-3,4,5-Trihydroxytetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.
Pentose Phosphates
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Monosaccharides
Monosaccharide Phosphates
Organophosphate Esters
Organic Phosphoric Acids
Tetrahydrofurans
Oxolanes
Secondary Alcohols
1,2-Diols
Hemiacetals
Polyamines
monosaccharide phosphate
phosphoric acid ester
organic phosphate
tetrahydrofuran
oxolane
polyol
hemiacetal
1,2-diol
secondary alcohol
polyamine
ether
alcohol
logP
-2.1
ALOGPS
logS
-0.84
ALOGPS
Water Solubility
3.36e+01 g/l
ALOGPS
logP
-2.4
ChemAxon
IUPAC Name
{[(2R,3S,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]methoxy}phosphonic acid
ChemAxon
Traditional IUPAC Name
[(2R,3S,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]methoxyphosphonic acid
ChemAxon
Molecular Weight
230.1098
ChemAxon
Monoisotopic Weight
230.01915384
ChemAxon
SMILES
O[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O
ChemAxon
Molecular Formula
C5H11O8P
ChemAxon
InChI
InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4+,5+/m1/s1
ChemAxon
InChIKey
InChIKey=KTVPXOYAKDPRHY-MBMOQRBOSA-N
ChemAxon
Polar Surface Area (PSA)
136.68
ChemAxon
Refractivity
40.83
ChemAxon
Polarizability
18.23
ChemAxon
Rotatable Bond Count
3
ChemAxon
H Bond Acceptor Count
7
ChemAxon
H Bond Donor Count
5
ChemAxon
pKa (strongest acidic)
1.22
ChemAxon
pKa (strongest basic)
-3.7
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
46876838
PubChem Substance
46506522
PDB
RP5
BE0001942
D-ribose pyranase
Bacillus subtilis (strain 168)
# Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17139284
# Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17016423
unknown
D-ribose pyranase
Carbohydrate transport and metabolism
Involved in the high-affinity ribose membrane transport system
rbsD
Cell membrane; peripheral membrane protein (Potential)
None
4.95
14228.0
Bacillus subtilis (strain 168)
GenBank Gene Database
Z25798
GenBank Protein Database
397496
UniProtKB
P36946
UniProt Accession
RBSD_BACSU
>High affinity ribose transport protein rbsD
MKKHGILNSHLAKILADLGHTDKIVIADAGLPVPDGVLKIDLSLKPGLPAFQDTAAVLAE
EMAVEKVIAAAEIKASNQENAKFLENLFSEQEIEYLSHEEFKLLTKDAKAVIRTGEFTPY
ANCILQAGVLF
>396 bp
ATGAAAAAACACGGTATACTGAACAGCCATCTTGCCAAGATTTTAGCCGACCTTGGCCAC
ACTGATAAAATTGTCATCGCGGATGCCGGACTGCCGGTTCCTGACGGCGTTTTGAAAATT
GATCTTTCACTGAAGCCGGGCCTTCCGGCTTTCCAAGATACAGCGGCAGTACTGGCTGAG
GAAATGGCGGTCGAAAAAGTCATTGCTGCAGCTGAAATAAAAGCATCCAATCAGGAGAAT
GCGAAATTTCTAGAAAATCTTTTCTCTGAACAAGAGATTGAATACCTTTCTCACGAGGAG
TTTAAGCTGCTGACAAAAGATGCAAAGGCAGTCATAAGAACAGGAGAATTCACACCATAT
GCCAACTGCATCCTGCAGGCAGGTGTACTTTTCTAG
PF05025
RbsD_FucU
process
transport
process
carbohydrate transport
process
physiological process
process
cellular physiological process
BE0001935
ADP-ribose pyrophosphatase, mitochondrial
Human
# Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17139284
# Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17016423
unknown
ADP-ribose pyrophosphatase, mitochondrial
Involved in hydrolase activity
Hydrolyzes ADP-ribose (ADPR) to AMP and ribose 5'- phosphate
NUDT9
4q22.1
Isoform 1:Mitochondrion
None
8.45
39125.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:8056
GenAtlas
NUDT9
GeneCards
NUDT9
GenBank Gene Database
AY026252
GenBank Protein Database
14160858
UniProtKB
Q9BW91
UniProt Accession
NUDT9_HUMAN
Adenosine diphosphoribose pyrophosphatase
ADP-ribose diphosphatase
ADP-ribose phosphohydrolase
ADP-ribose pyrophosphatase, mitochondrial precursor
ADPR-PPase
EC 3.6.1.13
Nucleoside diphosphate- linked moiety X motif 9
Nudix motif 9
>ADP-ribose pyrophosphatase, mitochondrial precursor
MAGRLLGKALAAVSLSLALASVTIRSSRCRGIQAFRNSFSSSWFHLNTNVMSGSNGSKEN
SHNKARTSPYPGSKVERSQVPNEKVGWLVEWQDYKPVEYTAVSVLAGPRWADPQISESNF
SPKFNEKDGHVERKSKNGLYEIENGRPRNPAGRTGLVGRGLLGRWGPNHAADPIITRWKR
DSSGNKIMHPVSGKHILQFVAIKRKDCGEWAIPGGMVDPGEKISATLKREFGEEALNSLQ
KTSAEKREIEEKLHKLFSQDHLVIYKGYVDDPRNTDNAWMETEAVNYHDETGEIMDNLML
EAGDDAGKVKWVDINDKLKLYASHSQFIKLVAEKRDAHWSEDSEADCHAL
>1053 bp
ATGGCGGGACGCCTCCTGGGAAAGGCTTTAGCCGCGGTGTCTCTCTCTCTGGCCTTGGCC
TCTGTGACTATCAGGTCCTCGCGCTGCCGCGGCATCCAGGCGTTCAGAAACTCGTTTTCA
TCTTCTTGGTTTCATCTTAATACCAACGTCATGTCTGGTTCTAATGGTTCCAAAGAAAAT
TCTCACAATAAGGCTCGGACGTCTCCTTACCCAGGTTCAAAAGTTGAACGAAGCCAGGTT
CCTAATGAGAAAGTGGGCTGGCTTGTTGAGTGGCAAGACTATAAGCCTGTGGAATACACT
GCAGTCTCTGTCTTGGCTGGACCCAGGTGGGCAGATCCTCAGATCAGTGAAAGTAATTTT
TCTCCCAAGTTTAACGAAAAGGATGGGCATGTTGAGAGAAAGAGCAAGAATGGCCTGTAT
GAGATTGAAAATGGAAGACCGAGAAATCCTGCAGGACGGACTGGACTGGTGGGCCGGGGG
CTTTTGGGGCGATGGGGCCCAAATCACGCTGCAGATCCCATTATAACCAGATGGAAAAGG
GATAGCAGTGGAAATAAAATCATGCATCCTGTTTCTGGGAAGCATATCTTACAATTTGTT
GCAATAAAAAGGAAAGACTGTGGAGAATGGGCAATCCCAGGGGGGATGGTGGATCCAGGA
GAGAAGATTAGTGCCACACTGAAAAGAGAATTTGGTGAGGAAGCTCTCAACTCCTTACAG
AAAACCAGTGCTGAGAAGAGAGAAATAGAGGAAAAGTTGCACAAACTCTTCAGCCAAGAC
CACCTAGTGATATATAAGGGATATGTTGATGATCCTCGAAACACTGATAATGCATGGATG
GAGACAGAAGCTGTGAACTACCATGACGAAACAGGTGAGATAATGGATAATCTTATGCTA
GAAGCTGGAGATGATGCTGGAAAAGTGAAATGGGTGGACATCAATGATAAACTGAAGCTT
TATGCCAGTCACTCTCAATTCATCAAACTTGTGGCTGAGAAACGAGATGCACACTGGAGC
GAGGACTCTGAAGCTGACTGCCATGCGTTGTAG
PF00293
NUDIX
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object