Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03518"
| Predicate | Value (sorted: none) |
|---|---|
| drugbank:description |
"
150-97-0
experimental
This compound belongs to the beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.
Beta Hydroxy Acids and Derivatives
Organic Compounds
Organic Acids and Derivatives
Hydroxy Acids and Derivatives
Beta Hydroxy Acids and Derivatives
Tertiary Alcohols
Polyamines
Primary Alcohols
Enolates
Carboxylic Acid Salts
tertiary alcohol
carboxylic acid derivative
enolate
carboxylic acid salt
polyamine
primary alcohol
alcohol
logP
-0.62
ALOGPS
logS
0.48
ALOGPS
Water Solubility
4.98e+02 g/l
ALOGPS
logP
-1.1
ChemAxon
IUPAC Name
(3R)-3,5-dihydroxy-3-methylpentanoate
ChemAxon
Traditional IUPAC Name
(R)-mevalonate
ChemAxon
Molecular Weight
147.1491
ChemAxon
Monoisotopic Weight
147.06573384
ChemAxon
SMILES
C[C@@](O)(CCO)CC([O-])=O
ChemAxon
Molecular Formula
C6H11O4
ChemAxon
InChI
InChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)/p-1/t6-/m1/s1
ChemAxon
InChIKey
InChIKey=KJTLQQUUPVSXIM-ZCFIWIBFSA-M
ChemAxon
Polar Surface Area (PSA)
80.59
ChemAxon
Refractivity
45.35
ChemAxon
Polarizability
14.14
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
4
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
4.38
ChemAxon
pKa (strongest basic)
-2.4
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
ChEBI
17710
PubChem Compound
5288798
PubChem Substance
46508035
KEGG Compound
C00418
PDB
MEV
BE0001856
3-hydroxy-3-methylglutaryl-coenzyme A reductase
Pseudomonas mevalonii
# 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
3-hydroxy-3-methylglutaryl-coenzyme A reductase
Lipid transport and metabolism
P.mevalonii can use mevalonate as sole carbon source. With this enzyme mevalonate is deacetylated to HMG-CoA
mvaA
None
6.71
45591.0
Pseudomonas mevalonii
GenBank Gene Database
M24015
GenBank Protein Database
151259
UniProtKB
P13702
UniProt Accession
MVAA_PSEMV
EC 1.1.1.88
HMG-CoA reductase
>3-hydroxy-3-methylglutaryl-coenzyme A reductase
MSLDSRLPAFRNLSPAARLDHIGQLLGLSHDDVSLLANAGALPMDIANGMIENVIGTFEL
PYAVASNFQINGRDVLVPLVVEEPSIVAAASYMAKLARANGGFTTSSSAPLMHAQVQIVG
IQDPLNARLSLLRRKDEIIELANRKDQLLNSLGGGCRDIEVHTFADTPRGPMLVAHLIVD
VRDAMGANTVNTMAEAVAPLMEAITGGQVRLRILSNLADLRLARAQVRITPQQLETAEFS
GEAVIEGILDAYAFAAVDPYRAATHNKGIMNGIDPLIVATGNDWRAVEAGAHAYACRSGH
YGSLTTWEKDNNGHLVGTLEMPMPVGLVGGATKTHPLAQLSLRILGVKTAQALAEIAVAV
GLAQNLGAMRALATEGIQRGHMALHARNIAVVAGARGDEVDWVARQLVEYHDVRADRAVA
LLKQKRGQ
>1287 bp
ATGAGCCTCGATTCCCGCCTGCCCGCTTTCCGTAACCTGTCCCCTGCCGCGCGCCTGGAC
CACATCGGCCAGTTGCTCGGCCTGAGCCACGACGATGTCAGCCTGCTGGCCAACGCCGGT
GCCCTGCCGATGGACATCGCCAACGGCATGATCGAAAACGTCATCGGCACCTTCGAGCTG
CCCTATGCCGTGGCCAGCAACTTCCAGATCAATGGCCGTGATGTGCTGGTGCCGCTGGTG
GTGGAAGAGCCCTCGATCGTCGCCGCTGCTTCGTACATGGCCAAGCTGGCCCGTGCCAAC
GGCGGCTTCACCACCTCCAGCAGCGCCCCGCTGATGCATGCCCAGGTACAGATCGTCGGC
ATACAGGACCCGCTCAATGCACGCCTGAGCCTGCTGCGCCGCAAAGACGAAATCATTGAA
CTGGCCAACCGCAAGGACCAGTTGCTCAACAGCCTCGGCGGCGGCTGCCGCGACATCGAA
GTGCACACCTTCGCCGATACCCCGCGTGGCCCGATGCTGGTGGCGCACCTGATCGTCGAT
GTACGCGATGCCATGGGCGCCAACACCGTCAATACCATGGCCGAGGCCGTTGCGCCGCTG
ATGGAAGCCATCACCGGGGGCCAGGTACGCCTGCGCATTCTGTCCAACCTGGCCGACCTG
CGCCTGGCCAGGGCCCAGGTGCGGATTACTCCGCAGCAACTGGAAACGGCCGAATTCAGT
GGCGAGGCAGTGATCGAAGGCATCCTCGACGCCTACGCCTTCGCTGCGGTCGACCCTTAC
CGCGCGGCCACCCACAACAAGGGCATCATGAATGGCATCGACCCACTGATCGTCGCCACT
GGCAACGACTGGCGTGCAGTGGAAGCCGGCGCCCATGCGTATGCCTGCCGCAGTGGTCAC
TACGGCTCGCTGACCACCTGGGAAAAGGACAACAACGGCCATTTGGTCGGCACCCTGGAA
ATGCCGATGCCCGTAGGCCTGGTCGGCGGCGCCACCAAAACCCATCCGCTGGCGCAACTG
TCGCTGCGCATCCTCGGCGTGAAAACAGCCCAGGCGCTCGCTGAGATTGCCGTGGCCGTA
GGCCTGGCGCAAAACCTCGGGGCCATGCGCGCCCTGGCCACCGAAGGCATCCAGCGCGGC
CACATGGCCCTGCATGCGCGCAATATTGCCGTGGTGGCGGGCGCCCGAGGCGATGAGGTG
GACTGGGTTGCCCGGCAGTTGGTGGAATACCACGACGTGCGCGCCGACCGCGCCGTAGCA
CTGCTGAAACAAAAGCGCGGCCAATGA
function
oxidoreductase activity
function
oxidoreductase activity, acting on CH-OH group of donors
function
oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
function
hydroxymethylglutaryl-CoA reductase (NADPH) activity
function
hydroxymethylglutaryl-CoA reductase activity
function
catalytic activity
process
metabolism
process
biosynthesis
process
primary metabolism
process
lipid metabolism
process
physiological process
"
|
| rdf:type | |
| owl:sameAs | |
| rdfs:label |
"(R)-Mevalonate"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object