Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB06931"
| Predicate | Value (sorted: none) |
|---|---|
| drugbank:description |
"
experimental
This compound belongs to the organic phosphonic acids. These are organic compounds containing phosphonic acid.
Organic Phosphonic Acids
Organic Compounds
Organophosphorus Compounds
Organic Phosphonic Acids and Derivatives
Organic Phosphonic Acids
Polyamines
polyamine
logP
0.7
ALOGPS
logS
-1.6
ALOGPS
Water Solubility
8.20e+00 g/l
ALOGPS
logP
0.81
ChemAxon
IUPAC Name
(1-hydroxy-1-phosphonononyl)phosphonic acid
ChemAxon
Traditional IUPAC Name
1-hydroxy-1-phosphonononylphosphonic acid
ChemAxon
Molecular Weight
304.2143
ChemAxon
Monoisotopic Weight
304.084076082
ChemAxon
SMILES
CCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O
ChemAxon
Molecular Formula
C9H22O7P2
ChemAxon
InChI
InChI=1S/C9H22O7P2/c1-2-3-4-5-6-7-8-9(10,17(11,12)13)18(14,15)16/h10H,2-8H2,1H3,(H2,11,12,13)(H2,14,15,16)
ChemAxon
InChIKey
InChIKey=COHUUYPEYRMWTH-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
135.29
ChemAxon
Refractivity
66.79
ChemAxon
Polarizability
27.94
ChemAxon
Rotatable Bond Count
9
ChemAxon
H Bond Acceptor Count
7
ChemAxon
H Bond Donor Count
5
ChemAxon
pKa (strongest acidic)
0.69
ChemAxon
pKa (strongest basic)
-5.2
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
5276507
PubChem Substance
99443402
ChemSpider
4440469
PDB
252
BE0003570
Geranylgeranyl pyrophosphate synthase
Human
# Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/10592235
unknown
Geranylgeranyl pyrophosphate synthase
Coenzyme transport and metabolism
Catalyzes the trans-addition of the three molecules of IPP onto DMAPP to form geranylgeranyl pyrophosphate, an important precursor of carotenoids and geranylated proteins
GGPS1
1q43
Cytoplasm
None
6.06
34870.6
Human
HUGO Gene Nomenclature Committee (HGNC)
GNC:4249
GeneCards
GGPS1
GenBank Gene Database
AB017971
GenBank Protein Database
4520350
UniProtKB
O95749
UniProt Accession
GGPPS_HUMAN
Dimethylallyltranstransferase
Farnesyltranstransferase
Geranylgeranyl diphosphate synthase
Geranyltranstransferase
GGPP synthetase
GGPPSase
>Geranylgeranyl pyrophosphate synthetase
MEKTQETVQRILLEPYKYLLQLPGKQVRTKLSQAFNHWLKVPEDKLQIIIEVTEMLHNAS
LLIDDIEDNSKLRRGFPVAHSIYGIPSVINSANYVYFLGLEKVLTLDHPDAVKLFTRQLL
ELHQGQGLDIYWRDNYTCPTEEEYKAMVLQKTGGLFGLAVGLMQLFSDYKEDLKPLLNTL
GLFFQIRDDYANLHSKEYSENKSFCEDLTEGKFSFPTIHAIWSRPESTQVQNILRQRTEN
IDIKKYCVHYLEDVGSFEYTRNTLKELEAKAYKQIDARGGNPELVALVKHLSKMFKEENE
PF00348
polyprenyl_synt
process
primary metabolism
process
lipid metabolism
process
cellular lipid metabolism
process
isoprenoid metabolism
process
isoprenoid biosynthesis
process
physiological process
process
metabolism
"
|
| rdf:type | |
| rdfs:label |
"(1-HYDROXYNONANE-1,1-DIYL)BIS(PHOSPHONIC ACID)"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object