Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03936"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"1-Deoxy-Ribofuranose-5'-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
Ethers
Polyamines
monosaccharide phosphate
organic phosphate
phosphoric acid ester
tetrahydrofuran
oxolane
1,2-diol
secondary alcohol
polyamine
ether
alcohol
logP
-2.1
ALOGPS
logS
-0.74
ALOGPS
Water Solubility
3.86e+01 g/l
ALOGPS
logP
-2.1
ChemAxon
IUPAC Name
{[(2R,3S,4R)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
ChemAxon
Traditional IUPAC Name
[(2R,3S,4R)-3,4-dihydroxyoxolan-2-yl]methoxyphosphonic acid
ChemAxon
Molecular Weight
214.1104
ChemAxon
Monoisotopic Weight
214.024239218
ChemAxon
SMILES
O[C@@H]1CO[C@H](COP(O)(O)=O)[C@H]1O
ChemAxon
Molecular Formula
C5H11O7P
ChemAxon
InChI
InChI=1S/C5H11O7P/c6-3-1-11-4(5(3)7)2-12-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4-,5+/m1/s1
ChemAxon
InChIKey
InChIKey=CYZZKTRFOOKUMT-WDCZJNDASA-N
ChemAxon
Polar Surface Area (PSA)
116.45
ChemAxon
Refractivity
39.8
ChemAxon
Polarizability
17.37
ChemAxon
Rotatable Bond Count
3
ChemAxon
H Bond Acceptor Count
6
ChemAxon
H Bond Donor Count
4
ChemAxon
pKa (strongest acidic)
1.23
ChemAxon
pKa (strongest basic)
-3.5
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
447843
PubChem Substance
46506929
PDB
ROB
BE0001394
2-dehydro-3-deoxyphosphooctonate aldolase
Shigella flexneri
# 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
2-dehydro-3-deoxyphosphooctonate aldolase
Cell wall/membrane/envelope biogenesis
Phosphoenolpyruvate + D-arabinose 5-phosphate + H(2)O = 2-dehydro-3-deoxy-D-octonate 8-phosphate + phosphate
kdsA
Cytoplasm
None
6.79
30833.0
Shigella flexneri
GenBank Gene Database
AE005674
GenBank Protein Database
24051519
UniProtKB
P0A716
UniProt Accession
KDSA_SHIFL
3-deoxy-D-manno-octulosonic acid 8- phosphate synthetase
EC 2.5.1.55
KDO 8-P synthase
KDO-8-phosphate synthetase
KDOPS
Phospho-2- dehydro-3-deoxyoctonate aldolase
>2-dehydro-3-deoxyphosphooctonate aldolase
MKQKVVSIGDINVANDLPFVLFGGMNVLESRDLAMRICEHYVTVTQKLGIPYVFKASFDK
ANRSSIHSYRGPGLEEGMKIFQELKQTFGVKIITDVHEPSQAQPVADVVDVIQLPAFLAR
QTDLVEAMAKTGAVINVKKPQFVSPGQMGNIVDKFKEGGNEKVILCDRGANFGYDNLVVD
MLGFSIMKKVSGNSPVIFDVTHALQCRDPFGAASGGRRAQVAELARAGMAVGLAGLFIEA
HPDPEHAKCDGPSALPLAKLEPFLKQMKAIDDLVKGFEELDTSK
>855 bp
ATGAAACAAAAAGTGGTTAGCATTGGCGACATCAACGTAGCAAATGACCTGCCGTTCGTA
CTGTTTGGCGGTATGAACGTGCTGGAATCTCGCGATCTGGCGATGCGCATTTGCGAGCAC
TACGTAACTGTGACCCAGAAACTGGGTATCCCTTACGTGTTCAAAGCCTCTTTTGACAAA
GCCAACCGCTCCTCCATCCACTCTTATCGTGGACCGGGCCTGGAAGAAGGGATGAAAATC
TTCCAGGAGTTGAAGCAGACTTTTGGCGTGAAAATTATCACCGACGTTCACGAACCAAGT
CAGGCACAGCCCGTTGCTGATGTCGTGGATGTGATTCAGTTGCCGGCGTTTCTTGCTCGC
CAGACTGACCTGGTTGAAGCCATGGCGAAAACCGGTGCGGTAATTAACGTCAAGAAACCA
CAGTTTGTCAGCCCGGGACAGATGGGTAATATCGTTGATAAATTCAAAGAAGGCGGCAAC
GAAAAAGTGATTCTTTGCGATCGTGGTGCTAACTTCGGCTATGACAACCTGGTTGTCGAT
ATGCTGGGCTTCAGCATTATGAAGAAAGTGTCTGGTAACTCGCCGGTGATTTTCGACGTG
ACCCACGCACTGCAATGCCGCGATCCGTTTGGCGCAGCTTCCGGTGGTCGTCGTGCTCAG
GTGGCTGAGCTGGCACGAGCCGGTATGGCGGTAGGTCTGGCGGGGCTGTTTATTGAAGCG
CATCCGGATCCGGAACATGCGAAATGTGATGGTCCATCCGCGCTGCCGCTGGCTAAACTG
GAACCGTTCCTCAAGCAGATGAAAGCGATTGATGATCTGGTGAAAGGTTTCGAAGAACTG
GATACCAGCAAGTAA
PF00793
DAHP_synth_1
component
cell
component
intracellular
component
cytoplasm
function
transferase activity
function
transferase activity, transferring alkyl or aryl (other than methyl) groups
function
3-deoxy-8-phosphooctulonate synthase activity
function
catalytic activity
process
metabolism
process
biosynthesis
process
physiological process
"
|
| 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