Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03704"
| Predicate | Value (sorted: none) |
|---|---|
| drugbank:description |
"
505-95-3
experimental
This compound belongs to the fatty alcohols. These are aliphatic alcohols consisting of a chain of 8 to 22 carbon atoms.
Fatty Alcohols
Organic Compounds
Lipids
Fatty Alcohols
Straight Chain Fatty Acids
Polyamines
Primary Alcohols
Enolates
Carboxylic Acids
carboxylic acid derivative
enolate
carboxylic acid
polyamine
primary alcohol
alcohol
logP
3.5
ALOGPS
logS
-3
ALOGPS
Water Solubility
2.14e-01 g/l
ALOGPS
logP
3.04
ChemAxon
IUPAC Name
12-hydroxydodecanoic acid
ChemAxon
Traditional IUPAC Name
12-hydroxydodecanoic acid
ChemAxon
Molecular Weight
216.3172
ChemAxon
Monoisotopic Weight
216.172544634
ChemAxon
SMILES
OCCCCCCCCCCCC(O)=O
ChemAxon
Molecular Formula
C12H24O3
ChemAxon
InChI
InChI=1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15)
ChemAxon
InChIKey
InChIKey=ZDHCZVWCTKTBRY-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
57.53
ChemAxon
Refractivity
60.61
ChemAxon
Polarizability
26.85
ChemAxon
Rotatable Bond Count
11
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
4.95
ChemAxon
pKa (strongest basic)
-2
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
ChEBI
10616
PubChem Compound
79034
PubChem Substance
46507831
KEGG Compound
C08317
ChemSpider
71366
PDB
12H
BE0000009
Alcohol dehydrogenase class-3
Human
# 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
# 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
Alcohol dehydrogenase class-3
Energy production and conversion
Class-III ADH is remarkably ineffective in oxidizing ethanol, but it readily catalyzes the oxidation of long-chain primary alcohols and the oxidation of S-(hydroxymethyl) glutathione
ADH5
4q21-q25
Cytoplasm
None
7.54
39593.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:253
GenAtlas
ADH5
GeneCards
ADH5
GenBank Gene Database
M30471
GenBank Protein Database
178134
UniProtKB
P11766
UniProt Accession
ADHX_HUMAN
Alcohol dehydrogenase class chi chain
Alcohol dehydrogenase class III
EC 1.1.1.1
EC 1.1.1.284
FDH
Glutathione- dependent formaldehyde dehydrogenase
S- (hydroxymethyl)glutathione dehydrogenase
>Alcohol dehydrogenase class 3 chi chain
ANEVIKCKAAVAWEAGKPLSIEEIEVAPPKAHEVRIKIIATAVCHTDAYTLSGADPEGCF
PVILGHEGAGIVESVGEGVTKLKAGDTVIPLYIPQCGECKFCLNPKTNLCQKIRVTQGKG
LMPDGTSRFTCKGKTILHYMGTSTFSEYTVVADISVAKIDPLAPLDKVCLLGCGISTGYG
AAVNTAKLEPGSVCAVFGLGGVGLAVIMGCKVAGASRIIGVDINKDKFARAKEFGATECI
NPQDFSKPIQEVLIEMTDGGVDYSFECIGNVKVMRAALEACHKGWGVSVVVGVAASGEEI
ATRPFQLVTGRTWKGTAFGGWKSVESVPKLVSEYMSKKIKVDEFVTHNLSFDEINKAFEL
MHSGKSIRTVVKI
>1125 bp
ATGGCGAACGAGGTTATCAAGTGCAAGGCTGCAGTTGCTTGGGAGGCTGGAAAGCCTCTC
TCCATAGAGGAGATAGAGGTGGCACCCCCAAAGGCTCATGAAGTTCGAATCAAGATCATT
GCCACTGCGGTTTGCCACACCGATGCCTATACCCTGAGTGGAGCTGATCCTGAGGGTTGT
TTTCCAGTGATCTTGGGACATGAAGGTGCTGGAATTGTGGAAAGTGTTGGTGAGGGAGTT
ACTAAGCTGAAGGCGGGTGACACTGTCATCCCACTTTACATCCCACAGTGTGGAGAATGC
AAATTTTGTCTAAATCCTAAAACTAACCTTTGCCAGAAGATAAGAGTCACTCAAGGGAAA
GGATTAATGCCAGATGGTACCAGCAGATTTACTTGCAAAGGAAAGACAATTTTGCATTAC
ATGGGAACCAGCACATTTTCTGAATACACAGTTGTGGCTGATATCTCTGTTGCTAAAATA
GATCCTTTAGCACCTTTGGATAAAGTCTGCCTTCTAGGTTGTGGCATTTCAACCGGTTAT
GGTGCTGCTGTGAACACTGCCAAGTTGGAGCCTGGCTCTGTTTGTGCCGTCTTTGGTCTG
GGAGGAGTCGGATTGGCAGTTATCATGGGCTGTAAAGTGGCTGGTGCTTCCCGGATCATT
GGTGTGGACATCAATAAAGATAAATTTGCAAGGGCCAAAGAGTTTGGAGCCACTGAATGT
ATTAACCCTCAGGATTTTAGTAAACCCATCCAGGAAGTGCTCATTGAGATGACCGATGGA
GGAGTGGACTATTCCTTTGAATGTATTGGTAATGTGAAGGTCATGAGAGCAGCACTTGAG
GCATGTCACAAGGGCTGGGGCGTCAGCGTCGTGGTTGGAGTAGCTGCTTCAGGTGAAGAA
ATTGCCACTCGTCCATTCCAGCTGGTAACAGGTCGCACATGGAAAGGCACTGCCTTTGGA
GGATGGAAGAGTGTAGAAAGTGTCCCAAAGTTGGTGTCTGAATATATGTCCAAAAAGATA
AAAGTTGATGAATTTGTGACTCACAATCTGTCTTTTGATGAAATCAACAAAGCCTTTGAA
CTGATGCATTCTGGAAAGAGCATTCGAACTGTTGTAAAGATTTAA
PF08240
ADH_N
PF00107
ADH_zinc_N
function
oxidoreductase activity
function
ion binding
function
cation binding
function
transition metal ion binding
function
zinc ion binding
function
binding
function
catalytic activity
"
|
| owl:sameAs | |
| rdfs:label |
"12-Hydroxydodecanoic Acid"
|
| rdf:type |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object