Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB08688"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"undecan-2-one"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be H).
Ketones
Organic Compounds
Organooxygen Compounds
Carbonyl Compounds
Ketones
Polyamines
Enolates
enolate
polyamine
logP
4.25
ALOGPS
logS
-4.2
ALOGPS
Water Solubility
1.18e-02 g/l
ALOGPS
logP
3.92
ChemAxon
IUPAC Name
undecan-2-one
ChemAxon
Traditional IUPAC Name
undecanone
ChemAxon
Molecular Weight
170.2918
ChemAxon
Monoisotopic Weight
170.167065326
ChemAxon
SMILES
CCCCCCCCCC(C)=O
ChemAxon
Molecular Formula
C11H22O
ChemAxon
InChI
InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3
ChemAxon
InChIKey
InChIKey=KYWIYKKSMDLRDC-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
17.07
ChemAxon
Refractivity
53.03
ChemAxon
Polarizability
22.66
ChemAxon
Rotatable Bond Count
8
ChemAxon
H Bond Acceptor Count
1
ChemAxon
H Bond Donor Count
0
ChemAxon
pKa (strongest acidic)
19.64
ChemAxon
pKa (strongest basic)
-7.3
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
ChEBI
17700
ChemSpider
7871
PDB
UOC
BE0004376
Acyl-coenzyme A thioesterase 13
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
Acyl-coenzyme A thioesterase 13
Secondary metabolites biosynthesis, transport and catabolism
Acyl-CoA thioesterases are a group of enzymes that catalyze the hydrolysis of acyl-CoAs to the free fatty acid and coenzyme A (CoASH), providing the potential to regulate intracellular levels of acyl-CoAs, free fatty acids and CoASH. Has acyl-CoA thioesterase activity towards medium (C12) and long-chain (C18) fatty acyl-CoA substrates. Can also hydrolyze 3- hydroxyphenylacetyl-CoA and 3,4-dihydrohyphenylacetyl-CoA (in vitro)
ACOT13
6p22.3
Cytoplasm (By similarity). Mitochondrion (By similarity)
None
9.74
14960.4
Human
HUGO Gene Nomenclature Committee (HGNC)
GNC:20999
GeneCards
ACOT13
GenBank Gene Database
AF155649
GenBank Protein Database
7677052
UniProtKB
Q9NPJ3
UniProt Accession
ACO13_HUMAN
Acyl-CoA thioesterase 13
Thioesterase superfamily member 2
>Acyl-coenzyme A thioesterase 13
MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLT
ATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDL
TNKATGKLIAQGRHTKHLGN
>423 bp
ATGACCAGCATGACTCAGTCTCTGCGGGAGGTGATAAAGGCCATGACCAAGGCTCGCAAT
TTTGAGAGAGTTTTGGGAAAGATTACTCTTGTCTCTGCTGCTCCTGGGAAAGTGATTTGT
GAAATGAAAGTAGAAGAAGAGCATACCAATGCAATAGGCACTCTCCACGGCGGTTTGACA
GCCACGTTAGTAGATAACATATCAACAATGGCTCTGCTATGCACGGAAAGGGGAGCACCC
GGAGTCAGTGTCGATATGAACATAACGTACATGTCACCTGCAAAATTAGGAGAAGATATA
GTGATTACAGCACATGTTCTGAAGCAAGGAAAAACACTTGCATTTACCTCTGTGGATCTG
ACCAACAAGGCCACAGGAAAATTAATAGCACAAGGAAGACACACAAAACACCTGGGAAAC
TGA
PF03061
4HBT
function
catalytic activity
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object