Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB07424"
| Predicate | Value (sorted: none) |
|---|---|
| drugbank:description |
"
experimental
This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
Biphenyls and Derivatives
Organic Compounds
Benzenoids
Benzene and Substituted Derivatives
Biphenyls and Derivatives
Sulfonyls
Sulfonic Acids and Derivatives
Organic Sulfites
Organic Phosphonic Acids and Derivatives
Polyamines
sulfonyl
sulfonic acid derivative
organic sulfite
phosphonic acid derivative
polyamine
logP
2.89
ALOGPS
logS
-2.5
ALOGPS
Water Solubility
1.42e+00 g/l
ALOGPS
logP
5.07
ChemAxon
IUPAC Name
potassium (1R)-1-[bis(potassiooxy)phosphoryl]-4-(4-phenylphenyl)butane-1-sulfonate
ChemAxon
Traditional IUPAC Name
potassium (1R)-1-(dipotassiooxyphosphoryl)-4-(4-phenylphenyl)butane-1-sulfonate
ChemAxon
Molecular Weight
484.628
ChemAxon
Monoisotopic Weight
483.931641029
ChemAxon
SMILES
[H][C@@](CCCC1=CC=C(C=C1)C1=CC=CC=C1)(P(=O)(O[K])O[K])S(=O)(=O)O[K]
ChemAxon
Molecular Formula
C16H16K3O6PS
ChemAxon
InChI
InChI=1S/C16H19O6PS.3K/c17-23(18,19)16(24(20,21)22)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14;;;/h1-3,6-7,9-12,16H,4-5,8H2,(H2,17,18,19)(H,20,21,22);;;/q;3*+1/p-3/t16-;;;/m1.../s1
ChemAxon
InChIKey
InChIKey=LBNUOQAEVSXSSE-UFRNLTNDSA-K
ChemAxon
Polar Surface Area (PSA)
78.9
ChemAxon
Refractivity
87.36
ChemAxon
Polarizability
41.18
ChemAxon
Rotatable Bond Count
10
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
0
ChemAxon
pKa (strongest basic)
-7.5
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
PubChem Compound
46937072
PubChem Substance
99443895
PDB
B70
BE0003866
Dehydrosqualene synthase
Staphylococcus aureus
# 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
Dehydrosqualene synthase
Lipid transport and metabolism
Catalyzes the head-to-head condensation of two molecules of farnesyl diphosphate (FPP) into the colorless C(30) carotenoid dehydrosqualene (4,4'-diapophytoene). This is the initial step in the biosynthesis of staphyloxanthin, an orange carotenoid present in most staphylococci strains
crtM
None
6.05
34312.8
Staphylococcus aureus
GeneCards
crtM
GenBank Gene Database
AM920687
GenBank Protein Database
161788394
UniProtKB
A9JQL9
UniProt Accession
CRTM_STAAU
4,4'-diapophytoene synthase
DAP synthase
Diapophytoene synthase
>Dehydrosqualene synthase
MTMMDMNFKYCHKIMKKHSKSFSYAFDLLPEDQRKAVWAIYAVCRKIDDSIDVYGDIQFL
NQIKEDIQSIEKYPYEYHHFQSDRRIMMALQHVAQHKNIAFQSFYNLIDTVYKDQHFTMF
ETDAELFGYCYGVAGTVGEVLTPILSDHETHQTYDVARRLGESLQLINILRDVGEDFENE
RIYFSKQRLKQYEVDIAEVYQNGVNNHYIDLWEYYAAIAEKDFRDVMDQIKVFSIEAQPI
IELAARIYIEILDEVRQANYTLHERVFVEKRKKAKLFHEINSKYHRI
PF00494
SQS_PSY
function
transferase activity
function
catalytic activity
process
metabolism
process
biosynthesis
process
physiological process
"
|
| rdf:type | |
| rdfs:label |
"tripotassium (1R)-4-biphenyl-4-yl-1-phosphonatobutane-1-sulfonate"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object