Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02897"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Acetylphosphate"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the acyl phosphates. These are organic compounds containing the functional group -CO-P(O)(O)OH.
Acyl Phosphates
Organic Compounds
Organophosphorus Compounds
Organic Phosphoric Acids and Derivatives
Organophosphate Esters
Organic Phosphoric Acids
Polyamines
Enolates
Carboxylic Acids and Derivatives
organic phosphate
polyamine
enolate
carboxylic acid derivative
logP
-0.92
ALOGPS
logS
-0.9
ALOGPS
Water Solubility
1.78e+01 g/l
ALOGPS
logP
-0.88
ChemAxon
IUPAC Name
(acetyloxy)phosphonic acid
ChemAxon
Traditional IUPAC Name
acetyloxyphosphonic acid
ChemAxon
Molecular Weight
140.0319
ChemAxon
Monoisotopic Weight
139.987459782
ChemAxon
SMILES
CC(=O)OP(O)(O)=O
ChemAxon
Molecular Formula
C2H5O5P
ChemAxon
InChI
InChI=1S/C2H5O5P/c1-2(3)7-8(4,5)6/h1H3,(H2,4,5,6)
ChemAxon
InChIKey
InChIKey=LIPOUNRJVLNBCD-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
83.83
ChemAxon
Refractivity
23.8
ChemAxon
Polarizability
9.87
ChemAxon
Rotatable Bond Count
2
ChemAxon
H Bond Acceptor Count
4
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
1.24
ChemAxon
pKa (strongest basic)
-7.4
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
ChEBI
15350
PubChem Compound
186
PubChem Substance
46505844
PDB
UVW
BE0001903
GDP-L-fucose 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
GDP-L-fucose synthase
Cell wall/membrane/envelope biogenesis
Two step NADP-dependent conversion of GDP-4-dehydro-6- deoxy-D-mannose to GDP-fucose, involving an epimerase and a reductase reaction
fcl
Cytoplasm
None
6.89
36142.0
Escherichia coli (strain K12)
GenBank Gene Database
U38473
GenBank Protein Database
1407613
UniProtKB
P32055
UniProt Accession
FCL_ECOLI
EC 1.1.1.271
GDP-4-keto-6-deoxy-D-mannose- 3,5-epimerase-4-reductase
>GDP-L-fucose synthetase
MSKQRVFIAGHRGMVGSAIRRQLEQRGDVELVLRTRDELNLLDSRAVHDFFASERIDQVY
LAAAKVGGIVANNTYPADFIYQNMMIESNIIHAAHQNDVNKLLFLGSSCIYPKLAKQPMA
ESELLQGTLEPTNEPYAIAKIAGIKLCESYNRQYGRDYRSVMPTNLYGPHDNFHPSNSHV
IPALLRRFHEATAQNAPDVVVWGSGTPMREFLHVDDMAAASIHVMELAHEVWLENTQPML
SHINVGTGVDCTIRELAQTIAKVVGYKGRVVFDASKPDGTPRKLLDVTRLHQLGWYHEIS
LEAGLASTYQWFLENQDRFRG
>966 bp
ATGAGTAAACAACGAGTTTTTATTGCTGGTCATCGCGGGATGGTCGGTTCCGCCATCAGG
CGGCAGCTCGAACAGCGCGGTGATGTGGAACTGGTATTACGCACCCGCGACGAGCTGAAC
CTGCTGGACAGCCGCGCCGTGCATGATTTCTTTGCCAGCGAACGTATTGACCAGGTCTAT
CTGGCGGCGGCGAAAGTGGGCGGCATTGTTGCCAACAACACCTATCCGGCGGATTTCATC
TACCAGAACATGATGATTGAGAGCAACATCATTCACGCCGCGCATCAGAACGACGTGAAC
AAACTGCTGTTTCTCGGATCGTCCTGCATCTACCCGAAACTGGCAAAACAGCCGATGGCA
GAAAGCGAGTTGTTGCAGGGCACGCTGGAGCCGACTAACGAGCCTTATGCTATTGCCAAA
ATCGCCGGGATCAAACTGTGCGAATCATACAACCGCCAGTACGGACGCGATTACCGCTCA
GTCATGCCGACCAACCTGTACGGGCCACACGACAACTTCCACCCGAGTAATTCGCATGTG
ATCCCAGCATTGCTGCGTCGCTTCCACGAGGCGACGGCACAGAATGCGCCGGACGTGGTG
GTATGGGGCAGCGGTACACCGATGCGCGAATTTCTGCACGTCGATGATATGGCGGCGGCG
AGCATTCATGTCATGGAGCTGGCGCATGAAGTCTGGCTGGAGAACACCCAGCCGATGTTG
TCGCACATTAACGTCGGCACGGGCGTTGACTGCACTATCCGCGACGTGGCGCAAACCATC
GCCAAAGTGGTGGGTTACAAAGGCCGGGTGGTTTTTGATGCCAGCAAACCGGATGGCACG
CCGCGCAAACTGCTGGATGTGACGCGCCTGCATCAGCTTGGCTGGTATCACGAAATCTCA
CTGGAAGCGGGGCTTGCCAGCACTTACCAGTGGTTCCTTGAGAATCAAGACCGCTTTCGG
GGGTAA
PF01370
Epimerase
function
catalytic activity
function
cofactor binding
function
coenzyme binding
function
NAD binding
function
binding
process
metabolism
process
cellular metabolism
process
nucleobase, nucleoside, nucleotide and nucleic acid metabolism
process
nucleotide-sugar metabolism
process
physiological process
BE0001908
Phosphate acetyltransferase
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
Phosphate acetyltransferase
Energy production and conversion
Acetyl-CoA + phosphate = CoA + acetyl phosphate
pta
Cytoplasm (Potential)
None
4.57
34791.0
Bacillus subtilis (strain 168)
GenBank Gene Database
X73124
GenBank Protein Database
580883
UniProtKB
P39646
UniProt Accession
PTAS_BACSU
EC 2.3.1.8
Phosphotransacetylase
VEG43
Vegetative protein 43
>Phosphate acetyltransferase
MADLFSTVQEKVAGKDVKIVFPEGLDERILEAVSKLAGNKVLNPIVIGNENEIQAKAKEL
NLTLGGVKIYDPHTYEGMEDLVQAFVERRKGKATEEQARKALLDENYFGTMLVYKGLADG
LVSGAAHSTADTVRPALQIIKTKEGVKKTSGVFIMARGEEQYVFADCAINIAPDSQDLAE
IAIESANTAKMFDIEPRVAMLSFSTKGSAKSDETEKVADAVKIAKEKAPELTLDGEFQFD
AAFVPSVAEKKAPDSEIKGDANVFVFPSLEAGNIGYKIAQRLGNFEAVGPILQGLNMPVN
DLSRGCNAEDVYNLALITAAQAL
>972 bp
GTGGCAGATTTATTTTCAACAGTGCAAGAAAAAGTAGCTGGAAAAGACGTTAAAATTGTA
TTTCCTGAAGGCTTAGACGAGCGTATTTTAGAAGCGGTCAGCAAGCTTGCAGGAAACAAA
GTGCTGAATCCGATTGTGATCGGCAATGAAAATGAGATCCAAGCAAAAGCAAAAGAATTG
AACCTTACGCTGGGCGGCGTTAAGATTTATGATCCTCATACATATGAAGGCATGGAAGAC
CTTGTACAAGCATTCGTAGAACGCCGCAAAGGCAAAGCGACTGAAGAACAGGCTCGTAAA
GCATTATTAGACGAGAACTACTTCGGTACAATGCTGGTGTATAAAGGACTTGCAGACGGA
CTTGTAAGCGGAGCTGCTCACTCAACTGCTGACACTGTCCGCCCGGCTCTTCAAATCATC
AAAACAAAAGAAGGCGTGAAAAAGACTTCAGGCGTGTTCATCATGGCTCGCGGAGAAGAG
CAATACGTATTCGCAGATTGCGCGATCAACATTGCACCTGACAGCCAAGATCTTGCCGAG
ATTGCGATCGAAAGTGCCAATACGGCAAAAATGTTCGACATTGAGCCTCGCGTGGCAATG
CTCAGCTTCTCTACAAAAGGCTCAGCAAAATCTGATGAAACAGAAAAAGTAGCGGATGCA
GTGAAAATCGCGAAAGAAAAAGCGCCTGAACTGACACTTGACGGCGAATTCCAATTTGAT
GCTGCATTTGTTCCATCTGTAGCTGAGAAAAAAGCGCCGGATTCCGAGATCAAAGGGGAC
GCTAACGTATTCGTATTCCCAAGTCTTGAAGCAGGAAACATCGGCTATAAAATCGCTCAG
CGTTTGGGCAACTTTGAAGCGGTAGGACCAATCCTGCAAGGTTTAAATATGCCTGTAAAC
GACCTTTCAAGAGGATGTAACGCTGAAGATGTTTACAATCTCGCATTAATTACAGCGGCG
CAAGCACTGTAA
PF01515
PTA_PTB
function
transferase activity, transferring acyl groups
function
transferase activity, transferring groups other than amino-acyl groups
function
acyltransferase activity
function
catalytic activity
function
transferase activity
function
acetyltransferase activity
process
physiological process
process
metabolism
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object