Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03075"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(Diphosphono)Aminophosphonic Acid"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the non-metal phosphates. These are inorganic non-metallic compoundscontaining a phosphate as its largest oxoanion.
Non-metal Phosphates
Inorganic Compounds
Homogeneous Non-metal Compounds
Non-metal Oxoanionic Compounds
Non-metal Phosphates
logP
-2.6
ChemAxon
IUPAC Name
{[hydroxy(phosphonoamino)phosphoryl]oxy}phosphonic acid
ChemAxon
Traditional IUPAC Name
[hydroxy(phosphonoamino)phosphoryl]oxyphosphonic acid
ChemAxon
Molecular Weight
256.9702
ChemAxon
Monoisotopic Weight
256.925540331
ChemAxon
SMILES
OP(O)(=O)N[P@](O)(=O)OP(O)(O)=O
ChemAxon
Molecular Formula
H6NO9P3
ChemAxon
InChI
InChI=1S/H6NO9P3/c2-11(3,4)1-12(5,6)10-13(7,8)9/h(H2,7,8,9)(H4,1,2,3,4,5,6)
ChemAxon
InChIKey
InChIKey=PELPUMGXMYVGSQ-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
173.62
ChemAxon
Refractivity
38.35
ChemAxon
Polarizability
15.09
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
8
ChemAxon
H Bond Donor Count
6
ChemAxon
pKa (strongest acidic)
0.68
ChemAxon
pKa (strongest basic)
-8.6
ChemAxon
Physiological Charge
-5
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
PubChem Compound
447781
PubChem Substance
46505469
ChemSpider
394777
PDB
PPK
BE0001499
S-adenosylmethionine synthase
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
S-adenosylmethionine synthase
Coenzyme transport and metabolism
Catalyzes the formation of S-adenosylmethionine from methionine and ATP. The overall synthetic reaction is composed of two sequential steps, AdoMet formation and the subsequent tripolyphosphate hydrolysis which occurs prior to release of AdoMet from the enzyme
metK
Cytoplasm
None
4.89
41952.0
Shigella flexneri
GenBank Gene Database
AE005674
GenBank Protein Database
24053342
UniProtKB
P0A820
UniProt Accession
METK_SHIFL
AdoMet synthetase
EC 2.5.1.6
MAT
Methionine adenosyltransferase
>S-adenosylmethionine synthetase
MAKHLFTSESVSEGHPDKIADQISDAVLDAILEQDPKARVACETYVKTGMVLVGGEITTS
AWVDIEEITRNTVREIGYVHSDMGFDANSCAVLSAIGKQSPDINQGVDRADPLEQGAGDQ
GLMFGYATNETDVLMPAPITYAHRLVQRQAEVRKNGTLPWLRPDAKSQVTFQYDDGKIVG
IDAVVLSTQHSEEIDQKSLQEAVMEEIIKPILPAEWLTSATKFFINPTGRFVIGGPMGDC
GLTGRKIIVDTYGGMARHGGGAFSGKDPSKVDRSAAYAARYVAKNIVAAGLADRCEIQVS
YAIGVAEPTSIMVETFGTEKVPSEQLTLLVREFFDLRPYGLIQMLDLLHPIYKETAAYGH
FGREHFPWEKTDKAQLLRDAAGLK
>1167 bp
GTGATATTAAATATGGCAAAACACCTTTTTACGTCCGAGTCCGTCTCTGAAGGGCATCCT
GACAAAATTGCTGACCAAATCTCTGATGCCGTTTTAGACGCGATCCTCGAACAGGATCCG
AAAGCACGCGTTGCTTGCGAAACCTACGTAAAAACCGGCATGGTTTTAGTTGGCGGCGAA
ATCACCACCAGCGCCTGGGTAGACATCGAAGAGATCACCCGTAACACCGTTCGCGAAATT
GGCTATGTGCATTCCGACATGGGCTTTGACGCTAACTCCTGTGCGGTTCTGAGCGCTATC
GGCAAACAGTCTCCTGACATCAACCAAGGCGTTGACCGTGCCGATCCGCTGGAACAGGGC
GCGGGTGACCAGGGTCTGATGTTTGGCTACGCAACTAATGAAACCGACGTGCTGATGCCA
GCACCTATCACCTATGCACACCGTCTGGTACAGCGTCAGGCTGAAGTGCGTAAAAACGGC
ACTCTGCCGTGGCTGCGCCCGGACGCGAAAAGCCAGGTGACTTTCCAGTATGACGACGGC
AAAATCGTTGGTATTGATGCTGTCGTGCTTTCCACTCAGCACTCTGAAGAGATCGACCAG
AAATCGCTGCAAGAAGCGGTAATGGAAGAGATCATCAAGCCAATTCTGCCCGCTGAATGG
CTGACTTCTGCCACCAAATTCTTCATCAACCCGACCGGTCGTTTCGTTATCGGTGGCCCA
ATGGGTGACTGCGGTCTGACTGGCCGTAAAATTATCGTTGATACCTACGGCGGCATGGCG
CGTCACGGTGGCGGTGCATTCTCTGGTAAAGATCCATCAAAAGTGGACCGTTCCGCAGCC
TACGCAGCACGTTATGTCGCGAAAAACATCGTTGCTGCTGGCCTGGCCGATCGTTGTGAA
ATTCAGGTTTCCTACGCAATCGGCGTGGCTGAACCGACCTCCATCATGGTAGAAACTTTC
GGTACTGAGAAAGTGCCTTCTGAACAACTGACTCTGCTGGTACGTGAGTTCTTCGACCTG
CGCCCATACGGACTGATTCAGATGCTGGATCTGCTGCACCCGATCTACAAAGAAACCGCA
GCATACGGTCACTTTGGTCGTGAACATTTCCCGTGGGAAAAAACCGACAAAGCGCAGCTG
CTGCGCGATGCTGCCGGTCTGAAGTAA
PF02773
S-AdoMet_synt_C
PF02772
S-AdoMet_synt_M
PF00438
S-AdoMet_synt_N
function
catalytic activity
function
nucleotide binding
function
purine nucleotide binding
function
adenyl nucleotide binding
function
transferase activity
function
ATP binding
function
transferase activity, transferring alkyl or aryl (other than methyl) groups
function
binding
function
methionine adenosyltransferase activity
process
metabolism
process
cellular metabolism
process
one-carbon compound metabolism
process
physiological process
"
|
| 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