Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02663"
| Predicate | Value (sorted: none) |
|---|---|
| rdfs:label |
"2-Amino-4-(Hydroxymethyl-Phosphinyl)Butanoic Acid"
|
| drugbank:drugCategory | |
| rdf:type | |
| drugbank:description |
"
51276-47-2
experimental
This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
Alpha Amino Acids and Derivatives
Organic Compounds
Organic Acids and Derivatives
Carboxylic Acids and Derivatives
Amino Acids, Peptides, and Analogues
Amino Fatty Acids
Enolates
Polyamines
Carboxylic Acids
Monoalkylamines
carboxylic acid
enolate
polyamine
primary amine
amine
primary aliphatic amine
organonitrogen compound
Herbicides
logP
-2.5
ALOGPS
logS
-0.59
ALOGPS
Water Solubility
4.63e+01 g/l
ALOGPS
logP
-3.8
ChemAxon
IUPAC Name
(2R)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid
ChemAxon
Traditional IUPAC Name
(2R)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid
ChemAxon
Molecular Weight
181.1268
ChemAxon
Monoisotopic Weight
181.050394389
ChemAxon
SMILES
C[P@@](O)(=O)CC[C@@H](N)C(O)=O
ChemAxon
Molecular Formula
C5H12NO4P
ChemAxon
InChI
InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/t4-/m1/s1
ChemAxon
InChIKey
InChIKey=IAJOBQBIJHVGMQ-SCSAIBSYSA-N
ChemAxon
Polar Surface Area (PSA)
100.62
ChemAxon
Refractivity
39.66
ChemAxon
Polarizability
16.03
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
1.86
ChemAxon
pKa (strongest basic)
9.53
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Melting Point
230 dec °C
PhysProp
PubChem Compound
6971307
PubChem Substance
46506119
KEGG Compound
C05042
ChemSpider
4630
BindingDB
50220010
PDB
PPQ
BE0001881
Glutamine synthetase
Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
# 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
Glutamine synthetase
Amino acid transport and metabolism
ATP + L-glutamate + NH(3) = ADP + phosphate + L-glutamine
glnA
Cytoplasm
None
5.34
51786.0
Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
GenBank Gene Database
M14536
GenBank Protein Database
154090
UniProtKB
P0A1P6
UniProt Accession
GLNA_SALTY
EC 6.3.1.2
Glutamate--ammonia ligase
>Glutamine synthetase
MSAEHVLTMLNEHEVKFVDLRFTDTKGKEQHVTIPAHQVNAEFFEEGKMFDGSSIGGWKG
INESDMVLMPDASTAVIDPFFADSTLIIRCDILEPGTLQGYDRDPRSIAKRAEDYLRATG
IADTVLFGPEPEFFLFDDIRFGASISGSHVAIDDIEGAWNSSTKYEGGNKGHRPGVKGGY
FPVPPVDSAQDIRSEMCLVMEQMGLVVEAHHHEVATAGQNEVATRFNTMTKKADEIQIYK
YVVHNVAHRFGKTATFMPKPMFGDNGSGMHCHMSLAKNGTNLFSGDKYAGLSEQALYYIG
GVIKHAKAINALANPTTNSYKRLVPGYEAPVMLAYSARNRSASIRIPVVASPKARRIEVR
FPDPAANPYLCFAALLMAGLDGIKNKIHPGEAMDKNLYDLPPEEAKEIPQVAGSLEEALN
ALDLDREFLKAGGVFTDEAIDAYIALRREEDDRVRMTPHPVEFELYYSV
>1407 bp
ATGTCCGCTGAACACGTTTTGACGATGCTGAACGAGCACGAAGTGAAGTTTGTCGATCTG
CGCTTCACCGATACCAAAGGCAAAGAACAGCACGTCACGATTCCTGCTCATCAGGTAAAT
GCCGAATTCTTTGAAGAAGGCAAAATGTTTGACGGCTCCTCTATCGGCGGCTGGAAAGGC
ATTAACGAATCCGACATGGTGCTGATGCCCGATGCGTCCACTGCGGTTATCGACCCGTTC
TTCGCGGACTCCACCCTGATTATCCGTTGTGACATCCTGGAGCCTGGCACTCTGCAAGGT
TATGACCGTGACCCACGTTCCATCGCAAAACGTGCGGAAGACTACCTGCGCGCGACCGGT
ATCGCCGATACCGTCCTGTTTGGGCCGGAACCTGAATTCTTCCTGTTCGACGACATCCGC
TTCGGCGCATCTATCTCCGGCTCACATGTGGCGATTGACGATATTGAAGGCGCCTGGAAC
TCCTCTACCAAGTACGAAGGCGGCAACAAAGGCCATCGTCCGGGCGTGAAAGGCGGTTAT
TTCCCGGTTCCGCCAGTTGACTCCGCGCAGGATATCCGTTCTGAAATGTGTCTGGTCATG
GAGCAGATGGGCCTGGTCGTTGAAGCGCACCACCACGAAGTAGCGACCGCAGGTCAGAAC
GAAGTCGCGACCCGCTTTAACACCATGACCAAAAAAGCCGACGAAATTCAGATTTACAAA
TATGTCGTGCATAACGTGGCTCACCGCTTCGGTAAGACCGCGACCTTTATGCCAAAACCG
ATGTTCGGCGATAACGGTTCCGGTATGCACTGCCACATGTCTCTGGCGAAGAACGGCACC
AACCTGTTCTCTGGCGACAAATATGCCGGCCTGTCTGAACAAGCGCTGTACTACATCGGC
GGCGTCATCAAACACGCCAAAGCCATCAACGCCCTGGCGAACCCGACCACCAACTCCTAC
AAGCGTCTGGTCCCGGGTTACGAAGCGCCGGTGATGCTGGCCTACTCCGCCCGTAACCGT
TCCGCCTCCATCCGTATTCCGGTGGTGGCGTCTCCGAAAGCGCGCCGTATCGAAGTTCGC
TTCCCGGACCCGGCGGCTAACCCGTATCTGTGCTTTGCCGCCCTGCTGATGGCCGGTCTG
GACGGGATTAAGAATAAGATTCACCCGGGCGAACCGATGGACAAAAACCTGTATGACCTG
CCGCCGGAAGAAGCGAAAGAGATCCCACAGGTAGCGGGTTCTCTGGAAGAAGCGCTGAAC
GCGCTGGACCTGGACCGCGAGTTCCTGAAAGCAGGCGGCGTGTTCACTGATGAAGCGATC
GATGCGTATATTGCGCTGCGTCCGGAAGAAGATGACCGCGTGCGTATGACCCCGCACCCG
GTAGAGTTTGAGCTGTACTACAGCGTT
PF00120
Gln-synt_C
PF03951
Gln-synt_N
component
cell
component
intracellular
component
cytoplasm
function
ligase activity
function
catalytic activity
function
ligase activity, forming carbon-nitrogen bonds
function
acid-ammonia (or amide) ligase activity
function
ammonia ligase activity
function
glutamate-ammonia ligase activity
process
physiological process
process
metabolism
process
cellular metabolism
process
amino acid metabolism
process
nitrogen compound metabolism
process
amino acid and derivative metabolism
process
nitrogen fixation
process
glutamine family amino acid metabolism
process
glutamine metabolism
process
glutamine biosynthesis
"
|
| 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