Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03951"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"16g"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the hexose phosphates. These are carbohydrate derivatives containing an hexose substituted by one or more phosphate groups.
Hexose Phosphates
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Monosaccharides
N-acyl-alpha-hexosamines
Monosaccharide Phosphates
Organic Phosphoric Acids
Oxanes
Organophosphate Esters
Secondary Carboxylic Acid Amides
1,2-Diols
Secondary Alcohols
Hemiacetals
Enolates
Carboxylic Acids
Polyamines
glucosamine
amino sugar
monosaccharide phosphate
organic phosphate
oxane
phosphoric acid ester
carboxamide group
secondary carboxylic acid amide
secondary alcohol
hemiacetal
1,2-diol
polyol
polyamine
carboxylic acid
enolate
ether
carboxylic acid derivative
amine
alcohol
organonitrogen compound
logP
-2
ALOGPS
logS
-1.2
ALOGPS
Water Solubility
1.76e+01 g/l
ALOGPS
logP
-3.3
ChemAxon
IUPAC Name
{[(2R,3R,4R,5R,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy}phosphonic acid
ChemAxon
Traditional IUPAC Name
[(2R,3R,4R,5R,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxyphosphonic acid
ChemAxon
Molecular Weight
301.1877
ChemAxon
Monoisotopic Weight
301.056267627
ChemAxon
SMILES
CC(=O)N[C@H]1[C@H](O)O[C@H](COP(O)(O)=O)[C@H](O)[C@@H]1O
ChemAxon
Molecular Formula
C8H16NO9P
ChemAxon
InChI
InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6+,7-,8-/m1/s1
ChemAxon
InChIKey
InChIKey=BRGMHAYQAZFZDJ-JAJWTYFOSA-N
ChemAxon
Polar Surface Area (PSA)
165.78
ChemAxon
Refractivity
57.9
ChemAxon
Polarizability
25.76
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
8
ChemAxon
H Bond Donor Count
6
ChemAxon
pKa (strongest acidic)
1.23
ChemAxon
pKa (strongest basic)
-0.79
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
ChEBI
15784
PubChem Compound
46936841
PubChem Substance
46506695
KEGG Compound
C00357
PDB
16G
BE0001567
Glucosamine-6-phosphate isomerase 1
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
Glucosamine-6-phosphate isomerase 1
Carbohydrate transport and metabolism
D-glucosamine 6-phosphate + H(2)O = D-fructose 6-phosphate + NH(3)
GNPDA1
5q21
Cytoplasm
None
6.91
32669.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:4417
GenAtlas
GNPDA1
GeneCards
GNPDA1
GenBank Gene Database
AF048826
GenBank Protein Database
2935438
UniProtKB
P46926
UniProt Accession
GNPI1_HUMAN
EC 3.5.99.6
GlcN6P deaminase
Glucosamine-6- phosphate deaminase
GNPDA
Oscillin
>Glucosamine-6-phosphate isomerase
MKLIILEHYSQASEWAAKYIRNRIIQFNPGPEKYFTLGLPTGSTPLGCYKKLIEYYKNGD
LSFKYVKTFNMDEYVGLPRDHPESYHSFMWNNFFKHIDIHPENTHILDGNAVDLQAECDA
FEEKIKAAGGIELFVGGIGPDGHIAFNEPGSSLVSRTRVKTLAMDTILANARFFDGELTK
VPTMALTVGVGTVMDAREVMILITGAHKAFALYKAIEEGVNHMWTVSAFQQHPRTVFVCD
EDATLELKVKTVKYFKGLMLVHNKLVDPLYSIKEKETEKSQSSKKPYSD
>870 bp
ATGAAGCTCATCATCCTGGAGCACTATTCTCAGGCGAGCGAGTGGGCGGCTAAATACATC
AGGAACCGTATCATCCAGTTTAACCCAGGGCCAGAGAAGTACTTCACCCTGGGGCTCCCC
ACTGGGAGTACCCCACTTGGCTGCTACAAGAAGCTGATTGAATACTATAAGAATGGGGAC
CTGTCCTTTAAATATGTGAAGACCTTCAACATGGATGAGTACGTGGGCCTTCCTCGAGAC
CACCCGGAGAGTTACCACTCCTTCATGTGGAACAACTTCTTCAAGCACATTGACATCCAC
CCAGAAAACACCCACATTCTGGATGGGAATGCAGTCGACCTACAGGCAGAATGTGATGCC
TTTGAAGAGAAGATCAAGGCTGCAGGTGGGATCGAGCTATTTGTTGGAGGCATCGGCCCT
GATGGACACATTGCCTTCAACGAGCCAGGCTCCAGTCTGGTGTCCAGGACCCGTGTGAAG
ACGCTGGCCATGGATACCATCCTGGCCAATGCTAGGTTCTTCGATGGAGAACTCACCAAG
GTGCCCACCATGGCCTTGACGGTGGGGGTGGGCACTGTCATGGATGCTAGAGAGGTGATG
ATCCTTATCACAGGTGCTCACAAGGCATTTGCTCTGTACAAGGCCATCGAGGAGGGAGTG
AACCACATGTGGACCGTGTCTGCCTTCCAGCAGCATCCCCGCACCGTGTTTGTGTGTGAC
GAGGATGCCACCTTGGAGCTGAAAGTGAAGACTGTCAAGTATTTCAAAGGTTTAATGCTT
GTTCATAACAAGTTGGTGGACCCCTTGTACAGTATCAAAGAGAAAGAAACTGAGAAAAGC
CAATCTTCGAAGAAACCATACAGCGATTAG
PF01182
Glucosamine_iso
function
glucosamine-6-phosphate deaminase activity
function
isomerase activity
function
intramolecular oxidoreductase activity
function
intramolecular oxidoreductase activity, interconverting aldoses and ketoses
function
catalytic activity
process
N-acetylglucosamine metabolism
process
metabolism
process
macromolecule metabolism
process
carbohydrate metabolism
process
nitrogen compound metabolism
process
amine metabolism
process
amino sugar metabolism
process
physiological process
process
glucosamine metabolism
BE0001626
Glucosamine-6-phosphate deaminase
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
Glucosamine-6-phosphate deaminase
Carbohydrate transport and metabolism
Catalyzes the reversible isomerization-deamination of glucosamine 6-phosphate (GlcN6P) to form fructose 6-phosphate (Fru6P) and ammonium ion
nagB
None
6.91
29775.0
Escherichia coli (strain K12)
GenBank Gene Database
M19284
GenBank Protein Database
455176
UniProtKB
P0A759
UniProt Accession
NAGB_ECOLI
EC 3.5.99.6
GlcN6P deaminase
Glucosamine-6- phosphate isomerase
GNPDA
>Glucosamine-6-phosphate deaminase
MRLIPLTTAEQVGKWAARHIVNRINAFKPTADRPFVLGLPTGGTPMTTYKALVEMHKAGQ
VSFKHVVTFNMDEYVGLPKEHPESYYSFMHRNFFDHVDIPAENINLLNGNAPDIDAECRQ
YEEKIRSYGKIHLFMGGVGNDGHIAFNEPASSLASRTRIKTLTHDTRVANSRFFDNDVNQ
VPKYALTVGVGTLLDAEEVMILVLGSQKALALQAAVEGCVNHMWTISCLQLHPKAIMVCD
EPSTMELKVKTLRYFNELEAENIKGL
>801 bp
TTACAGACCTTTGATATTTTCTGCTTCTAATTCATTGAAATATCTTAAAGTCTTAACTTT
CAGCTCCATGGTGGAAGGTTCATCGCACACCATGATCGCTTTCGGATGCAGTTGCAGACA
GCTGATGGTCCACATATGGTTCACGCAACCTTCAACGGCGGCCTGCAGCGCCAGTGCTTT
CTGGCTACCCAGCACCAGAATCATCACTTCTTCGGCATCCAGCAGTGTACCAACACCGAC
AGTCAGGGCATATTTTGGCACCTGATTAACATCGTTATCAAAGAAACGAGAGTTTGCGAC
GCGAGTGTCATGAGTCAGGGTTTTGATACGAGTACGAGAAGCCAGAGAAGACGCCGGTTC
GTTAAATGCAATATGACCGTCGTTACCTACACCGCCCATAAACAGATGAATTTTTCCGTA
AGAACGGATTTTTTCTTCATACTGGCGGCACTCGGCGTCGATATCCGGGGCGTTGCCGTT
GAGAAGGTTGATGTTTTCTGCTGGAATATCAACGTGATCGAAGAAATTACGGTGCATAAA
GCTGTAGTAGCTTTCCGGATGCTCTTTCGGCAGACCGACATATTCGTCCATGTTGAAGGT
GACAACGTGCTTAAAGCTGACCTGGCCTGCTTTATGCATTTCGACTAACGCTTTATAGGT
GGTCATCGGCGTGCCGCCAGTCGGCAGGCCCAGTACAAACGGACGATCGGCAGTCGGTTT
GAACGCATTGATACGATTGACGATATGGCGAGCAGCCCATTTGCCGACCTGTTCAGCGGT
AGTCAGGGGGATCAGTCTCAT
PF01182
Glucosamine_iso
function
glucosamine-6-phosphate deaminase activity
function
isomerase activity
function
intramolecular oxidoreductase activity
function
intramolecular oxidoreductase activity, interconverting aldoses and ketoses
function
catalytic activity
process
metabolism
process
macromolecule metabolism
process
carbohydrate metabolism
process
nitrogen compound metabolism
process
amine metabolism
process
amino sugar metabolism
process
physiological process
process
glucosamine metabolism
process
N-acetylglucosamine metabolism
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines2/drugbank_small.nt
The resource does not appear as an object