Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02496"
| Predicate | Value (sorted: none) |
|---|---|
| owl:sameAs | |
| drugbank: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
Acyloins
Organic Phosphoric Acids
Organophosphate Esters
Ketones
1,2-Diols
Secondary Alcohols
Polyamines
Enolates
Aldehydes
acyloin
organic phosphate
phosphoric acid ester
secondary alcohol
ketone
1,2-diol
enolate
polyamine
carbonyl group
aldehyde
alcohol
logP
-1.9
ALOGPS
logS
-0.89
ALOGPS
Water Solubility
2.76e+01 g/l
ALOGPS
logP
-1.9
ChemAxon
IUPAC Name
{[(2R,3S)-2,3-dihydroxy-4-oxopentyl]oxy}phosphonic acid
ChemAxon
Traditional IUPAC Name
[(2R,3S)-2,3-dihydroxy-4-oxopentyl]oxyphosphonic acid
ChemAxon
Molecular Weight
214.1104
ChemAxon
Monoisotopic Weight
214.024239218
ChemAxon
SMILES
CC(=O)[C@@H](O)[C@H](O)COP(O)(O)=O
ChemAxon
Molecular Formula
C5H11O7P
ChemAxon
InChI
InChI=1S/C5H11O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h4-5,7-8H,2H2,1H3,(H2,9,10,11)/t4-,5-/m1/s1
ChemAxon
InChIKey
InChIKey=AJPADPZSRRUGHI-RFZPGFLSSA-N
ChemAxon
Polar Surface Area (PSA)
124.29
ChemAxon
Refractivity
40.77
ChemAxon
Polarizability
17.18
ChemAxon
Rotatable Bond Count
5
ChemAxon
H Bond Acceptor Count
6
ChemAxon
H Bond Donor Count
4
ChemAxon
pKa (strongest acidic)
1.48
ChemAxon
pKa (strongest basic)
-3.6
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
ChEBI
16493
PubChem Compound
443201
PubChem Substance
46506007
KEGG Compound
C11437
ChemSpider
621
PDB
DXP
BE0001575
1-deoxy-D-xylulose 5-phosphate reductoisomerase
Escherichia coli (strain K12)
# 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
1-deoxy-D-xylulose 5-phosphate reductoisomerase
Lipid transport and metabolism
Catalyzes the NADP-dependent rearrangement and reduction of 1-deoxy-D-xylulose-5-phosphate (DXP) to 2-C-methyl-D-erythritol 4-phosphate (MEP)
dxr
None
5.88
43389.0
Escherichia coli (strain K12)
GenBank Gene Database
AB013300
GenBank Protein Database
3434984
UniProtKB
P45568
UniProt Accession
DXR_ECOLI
1-deoxyxylulose-5-phosphate reductoisomerase
2-C- methyl-D-erythritol 4-phosphate synthase
DXP reductoisomerase
EC 1.1.1.267
>1-deoxy-D-xylulose 5-phosphate reductoisomerase
MKQLTILGSTGSIGCSTLDVVRHNPEHFRVVALVAGKNVTRMVEQCLEFSPRYAVMDDEA
SAKLLKTMLQQQGSRTEVLSGQQAACDMAALEDVDQVMAAIVGAAGLLPTLAAIRAGKTI
LLANKESLVTCGRLFMDAVKQSKAQLLPVDSEHNAIFQSLPQPIQHNLGYADLEQNGVVS
ILLTGSGGPFRETPLRDLATMTPDQACRHPNWSMGRKISVDSATMMNKGLEYIEARWLFN
ASASQMEVLIHPQSVIHSMVRYQDGSVLAQLGEPDMRTPIAHTMAWPNRVNSGVKPLDFC
KLSALTFAAPDYDRYPCLKLAMEAFEQGQAATTALNAANEITVAAFLAQQIRFTDIAALN
LSVLEKMDMREPQCVDDVLSVDANAREVARKEVMRLAS
>1197 bp
ATGAAGCAACTCACCATTCTGGGCTCGACCGGCTCGATTGGTTGCAGCACGCTGGACGTG
GTGCGCCATAATCCCGAACACTTCCGCGTAGTTGCGCTGGTGGCAGGCAAAAATGTCACT
CGCATGGTAGAACAGTGCCTGGAATTCTCTCCCCGCTATGCCGTAATGGACGATGAAGCG
AGTGCGAAACTTCTTAAAACGATGCTACAGCAACAGGGTAGCCGCACCGAAGTCTTAAGT
GGGCAACAAGCCGCTTGCGATATGGCAGCGCTTGAGGATGTTGATCAGGTGATGGCAGCC
ATTGTTGGCGCTGCTGGGCTGTTACCTACGCTTGCTGCGATCCGCGCGGGTAAAACCATT
TTGCTGGCCAATAAAGAATCACTGGTTACCTGCGGACGTCTGTTTATGGACGCCGTAAAG
CAGAGCAAAGCGCAATTGTTACCGGTCGATAGCGAACATAACGCCATTTTTCAGAGTTTA
CCGCAACCTATCCAGCATAATCTGGGATACGCTGACCTTGAGCAAAATGGCGTGGTGTCC
ATTTTACTTACCGGGTCTGGTGGCCCTTTCCGTGAGACGCCATTGCGCGATTTGGCAACA
ATGACGCCGGATCAAGCCTGCCGTCATCCGAACTGGTCGATGGGGCGTAAAATTTCTGTC
GATTCGGCTACCATGATGAACAAAGGTCTGGAATACATTGAAGCGCGTTGGCTGTTTAAC
GCCAGCGCCAGCCAGATGGAAGTGCTGATTCACCCGCAGTCAGTGATTCACTCAATGGTG
CGCTATCAGGACGGCAGTGTTCTGGCGCAGCTGGGGGAACCGGATATGCGTACGCCAATT
GCCCACACCATGGCATGGCCGAATCGCGTGAACTCTGGCGTGAAGCCGCTCGATTTTTGC
AAACTAAGTGCGTTGACATTTGCCGCACCGGATTATGATCGTTATCCATGCCTGAAACTG
GCGATGGAGGCGTTCGAACAAGGCCAGGCAGCGACGACAGCATTGAATGCCGCAAACGAA
ATCACCGTTGCTGCTTTTCTTGCGCAACAAATCCGCTTTACGGATATCGCTGCGTTGAAT
TTATCCGTACTGGAAAAAATGGATATGCGCGAACCACAATGTGTGGACGATGTGTTATCT
GTTGATGCGAACGCGCGTGAAGTCGCCAGAAAAGAGGTGATGCGTCTCGCAAGCTGA
PF08436
DXP_redisom_C
PF02670
DXP_reductoisom
function
catalytic activity
process
cellular lipid metabolism
process
isoprenoid metabolism
process
isoprenoid biosynthesis
process
physiological process
process
metabolism
process
primary metabolism
process
lipid metabolism
BE0001540
Pyridoxine 5'-phosphate synthase
Escherichia coli (strain K12)
# 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
Pyridoxine 5'-phosphate synthase
Coenzyme transport and metabolism
Catalyzes the complicated ring closure reaction between the two acyclic compounds 1-deoxy-D-xylulose-5-phosphate (DXP) and 3-amino-2-oxopropyl phosphate (1-amino-acetone-3-phosphate or AAP) to form pyridoxine 5'-phosphate (PNP) and inorganic phosphate
pdxJ
Cytoplasm
None
5.82
26385.0
Escherichia coli (strain K12)
GenBank Gene Database
M76470
GenBank Protein Database
147555
UniProtKB
P0A794
UniProt Accession
PDXJ_ECOLI
EC 2.6.99.2
PNP synthase
>Pyridoxine 5'-phosphate synthase
MAELLLGVNIDHIATLRNARGTAYPDPVQAAFIAEQAGADGITVHLREDRRHITDRDVRI
LRQTLDTRMNLEMAVTEEMLAIAVETKPHFCCLVPEKRQEVTTEGGLDVAGQRDKMRDAC
KRLADAGIQVSLFIDADEEQIKAAAEVGAPFIEIHTGCYADAKTDAEQAQELARIAKAAT
FAASLGLKVNAGHGLTYHNVKAIAAIPEMHELNIGHAIIGRAVMTGLKDAVAEMKRLMLE
ARG
>732 bp
ATGGCTGAATTACTGTTAGGCGTCAACATTGACCATATCGCTACGCTGCGCAACGCGCGC
GGTACCGCTTACCCGGATCCGGTGCAGGCCGCGTTTATTGCCGAGCAGGCGGGAGCGGAC
GGCATTACCGTGCATTTACGTGAAGATCGCCGTCACATTACTGACCGCGACGTGCGCATC
CTGCGTCAGACGCTGGATACCCGCATGAATCTGGAGATGGCGGTGACCGAAGAGATGCTG
GCGATCGCCGTTGAGACGAAGCCACATTTTTGCTGCCTGGTACCGGAAAAGCGTCAGGAA
GTAACAACCGAAGGCGGCCTGGATGTCGCAGGGCAGCGTGACAAAATGCGCGATGCCTGC
AAACGTCTGGCAGATGCCGGGATTCAGGTTTCTCTGTTTATTGACGCCGATGAAGAGCAG
ATCAAAGCTGCGGCAGAGGTTGGCGCACCGTTTATCGAGATCCACACCGGTTGCTATGCT
GATGCCAAAACTGACGCCGAACAGGCGCAAGAGCTGGCGCGTATCGCCAAAGCCGCGACC
TTTGCCGCAAGCCTCGGTCTGAAAGTTAACGCCGGACACGGTCTGACCTATCACAACGTG
AAAGCCATTGCCGCCATCCCTGAGATGCATGAACTGAATATCGGTCATGCCATTATTGGT
CGTGCAGTGATGACCGGACTGAAAGATGCGGTGGCAGAAATGAAGCGTCTGATGCTGGAA
GCGCGTGGCTAA
PF03740
PdxJ
component
cytoplasm
component
cell
component
intracellular
process
vitamin metabolism
process
water-soluble vitamin metabolism
process
vitamin B6 metabolism
process
pyridoxine metabolism
process
pyridoxine biosynthesis
process
physiological process
process
metabolism
process
cellular metabolism
"
|
| rdf:type | |
| rdfs:label |
"1-Deoxy-D-Xylulose-5-Phosphate"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines2/drugbank_small.nt
The resource does not appear as an object