Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB07930"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(3R)-3-HYDROXYDODECANOIC ACID"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the hydroxy fatty acids. These are fatty acids in which the chain bears an hydroxyl group.
Hydroxy Fatty Acids
Organic Compounds
Lipids
Fatty Acids and Conjugates
Hydroxy Fatty Acids
Fatty Alcohols
Beta Hydroxy Acids and Derivatives
Secondary Alcohols
Enolates
Carboxylic Acids
Polyamines
fatty alcohol
beta-hydroxy acid
hydroxy acid
secondary alcohol
enolate
carboxylic acid derivative
carboxylic acid
polyamine
alcohol
logP
3.63
ALOGPS
logS
-2.8
ALOGPS
Water Solubility
3.45e-01 g/l
ALOGPS
logP
3.25
ChemAxon
IUPAC Name
(3R)-3-hydroxydodecanoic acid
ChemAxon
Traditional IUPAC Name
(R)-β-OH lauric aci
ChemAxon
Molecular Weight
216.3172
ChemAxon
Monoisotopic Weight
216.172544634
ChemAxon
SMILES
[H][C@@](O)(CCCCCCCCC)CC(O)=O
ChemAxon
Molecular Formula
C12H24O3
ChemAxon
InChI
InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)/t11-/m1/s1
ChemAxon
InChIKey
InChIKey=MUCMKTPAZLSKTL-LLVKDONJSA-N
ChemAxon
Polar Surface Area (PSA)
57.53
ChemAxon
Refractivity
60.2
ChemAxon
Polarizability
26.59
ChemAxon
Rotatable Bond Count
10
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
4.67
ChemAxon
pKa (strongest basic)
-2.8
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
ChEBI
43197
PubChem Compound
5312804
PubChem Substance
99444401
ChemSpider
4472229
PDB
HXD
BE0004135
Peroxisomal acyl-coenzyme A oxidase 1
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
Peroxisomal acyl-coenzyme A oxidase 1
Lipid transport and metabolism
Catalyzes the desaturation of very long chain acyl-CoAs to 2-trans-enoyl-CoAs
ACOX1
17q24-q25|17q25.1
Peroxisome
None
8.29
74423.0
Human
HUGO Gene Nomenclature Committee (HGNC)
GNC:119
GeneCards
ACOX1
GenBank Gene Database
U07866
GenBank Protein Database
495475
UniProtKB
Q15067
UniProt Accession
ACOX1_HUMAN
AOX
Palmitoyl-CoA oxidase
SCOX
Straight-chain acyl-CoA oxidase
>Peroxisomal acyl-coenzyme A oxidase 1
MNPDLRRERDSASFNPELLTHILDGSPEKTRRRREIENMILNDPDFQHEDLNFLTRSQRY
EVAVRKSAIMVKKMREFGIADPDEIMWFKKLHLVNFVEPVGLNYSMFIPTLLNQGTTAQK
EKWLLSSKGLQIIGTYAQTEMGHGTHLRGLETTATYDPETQEFILNSPTVTSIKWWPGGL
GKTSNHAIVLAQLITKGKCYGLHAFIVPIREIGTHKPLPGITVGDIGPKFGYDEIDNGYL
KMDNHRIPRENMLMKYAQVKPDGTYVKPLSNKLTYGTMVFVRSFLVGEAARALSKACTIA
IRYSAVRHQSEIKPGEPEPQILDFQTQQYKLFPLLATAYAFQFVGAYMKETYHRINEGIG
QGDLSELPELHALTAGLKAFTSWTANTGIEACRMACGGHGYSHCSGLPNIYVNFTPSCTF
EGENTVMMLQTARFLMKSYDQVHSGKLVCGMVSYLNDLPSQRIQPQQVAVWPTMVDINSP
ESLTEAYKLRAARLVEIAAKNLQKEVIHRKSKEVAWNLTSVDLVRASEAHCHYVVVKLFS
EKLLKIQDKAIQAVLRSLCLLYSLYGISQNAGDFLQGSIMTEPQITQVNQRVKELLTLIR
SDAVALVDAFDFQDVTLGSVLGRYDGNVYENLFEWAKNSPLNKAEVHESYKHLKSLQSKL
PF02770
Acyl-CoA_dh_M
PF01756
ACOX
component
membrane-bound organelle
component
microbody
component
intracellular membrane-bound organelle
component
peroxisome
component
organelle
function
catalytic activity
function
nucleotide binding
function
oxidoreductase activity
function
oxidoreductase activity, acting on the CH-CH group of donors
function
oxidoreductase activity, acting on the CH-CH group of donors, oxygen as acceptor
function
purine nucleotide binding
function
acyl-CoA dehydrogenase activity
function
adenyl nucleotide binding
function
acyl-CoA oxidase activity
function
binding
function
FAD binding
process
metabolism
process
cellular metabolism
process
organic acid metabolism
process
carboxylic acid metabolism
process
generation of precursor metabolites and energy
process
fatty acid metabolism
process
electron transport
process
fatty acid oxidation
process
physiological process
process
fatty acid beta-oxidation
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object