Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02776"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"1-Hexadecanosulfonic Acid"
|
| rdf:type | |
| drugbank:description |
"
15015-81-3
experimental
This compound belongs to the sulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R ≠H).
Sulfonic Acids
Organic Compounds
Organic Acids and Derivatives
Sulfonic Acids and Derivatives
Sulfonic Acids
Sulfonyls
Organic Sulfites
Polyamines
polyamine
logP
4.03
ALOGPS
logS
-5.5
ALOGPS
Water Solubility
8.57e-04 g/l
ALOGPS
logP
5.85
ChemAxon
IUPAC Name
hexadecane-1-sulfonic acid
ChemAxon
Traditional IUPAC Name
1-hexadecanosulfonic acid
ChemAxon
Molecular Weight
306.504
ChemAxon
Monoisotopic Weight
306.222865644
ChemAxon
SMILES
CCCCCCCCCCCCCCCCS(O)(=O)=O
ChemAxon
Molecular Formula
C16H34O3S
ChemAxon
InChI
InChI=1S/C16H34O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3,(H,17,18,19)
ChemAxon
InChIKey
InChIKey=SSILHZFTFWOUJR-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
54.37
ChemAxon
Refractivity
85.74
ChemAxon
Polarizability
38.82
ChemAxon
Rotatable Bond Count
15
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest acidic)
-0.59
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
0
ChemAxon
ChEBI
32912
PubChem Compound
14253
PubChem Substance
46504870
PDB
HDS
BE0002837
Hydrolase
Alicyclobacillus acidocaldarius
unknown
Hydrolase
Involved in hydrolase activity
None
4.85
34303.0
Alicyclobacillus acidocaldarius
UniProtKB
Q7SIG1
UniProt Accession
Q7SIG1_ALIAC
>Hydrolase
MPLDPVIQQVLDQLNRMPAPDYKHLSAQQFRSQQSLFPPVKKEPVAEVREFDMDLPGRTL
KVRMYRPEGVEPPYPALVYYHGGGWVVGDLETHDPVCRVLAKDGRAVVFSVDYRLAPEHK
FPAAVEDAYDALQWIAERAADFHLDPARIAVGGDSAGGNLAAVTSILAKERGGPALAFQL
LIYPSTGYDPAHPPASIEENAEGYLLTGGMMLWFRDQYLNSLEELTHPWFSPVLYPDLSG
LPPAYIATAQYDPLRDVGKLYAEALNKAGVKVEIENFEDLIHGFAQFYSLSPGATKALVR
IAEKLRDALA
PF07859
Abhydrolase_3
BE0001696
Lipase 1
Yeast
# 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
Lipase 1
Lipid transport and metabolism
Triacylglycerol + H(2)O = diacylglycerol + a carboxylate
LIP1
None
4.43
58551.0
Yeast
GenBank Gene Database
X64703
GenBank Protein Database
1325987
UniProtKB
P20261
UniProt Accession
LIP1_CANRU
EC 3.1.1.3
Lipase 1 precursor
>Lipase 1 precursor
MELALALSLIASVAAAPTATLANGDTITGLNAIINEAFLGIPFAEPPVGNLRFKDPVPYS
GSLDGQKFTSYGPSCMQQNPEGTYEENLPKAALDLVMQSKVFEAVSPSSEDCLTINVVRP
PGTKAGANLPVMLWIFGGGFEVGGTSTFPPAQMITKSIAMGKPIIHVSVNYRVSSWGFLA
GDEIKAEGSANAGLKDQRLGMQWVADNIAAFGGDPTKVTIFGESAGSMSVMCHILWNDGD
NTYKGKPLFRAGIMQSGAMVPSDAVDGIYGNEIFDLLASNAGCGSASDKLACLRGVSSDT
LEDATNNTPGFLAYSSLRLSYLPRPDGVNITDDMYALVREGKYANIPVIIGDQNDEGTFF
GTSSLNVTTDAQAREYFKQSFVHASDAEIDTLMTAYPGDITQGSPFDTGILNALTPQFKR
ISAVLGDLGFTLARRYFLNHYTGGTKYSFLSKQLSGLPVLGTFHSNDIVFQDYLLGSGSL
IYNNAFIAFATDLDPNTAGLLVKWPEYTSSSQSGNNLMMINALGLYTGKDNFRTAGYDAL
FSNPPSFFV
>1650 bp
ATGGAGCTCGCTCTTGCGCTCCTGCTCATTGCCTCGGTGGCTGCTGCCCCCACCGCCACG
CTCGCCAACGGCGACACCATCACCGGTCTCAACGCCATCATCAACGAGGCGTTCCTCGGC
ATTCCCTTTGCCGAGCCGCCGGTGGGCAACCTCCGCTTCAAGGACCCCGTGCCGTACTCC
GGCTCGCTCGATGGCCAGAAGTTCACGCTGTACGGCCCGCTGTGCATGCAGCAGAACCCC
GAGGGCACCTACGAGGAGAACCTCCCCAAGGCAGCGCTCGACTTGGTGATGCAGTCCAAG
GTGTTTGAGGCGGTGCTGCCGCTGAGCGAGGACTGTCTCACCATCAACGTGGTGCGGCCG
CCGGGCACCAAGGCGGGTGCCAACCTCCCGGTGATGCTCTGGATCTTTGGCGGCGGGTTT
GAGGTGGGTGGCACCAGCACCTTCCCTCCCGCCCAGATGATCACCAAGAGCATTGCCATG
GGCAAGCCCATCATCCACGTGAGCGTCAACTACCGCGTGTCGTCGTGGGGGTTCTTGGCT
GGCGACGAGATCAAGGCCGAGGGCAGTGCCAACGCCGGTTTGAAGGACCAGCGCTTGGGC
ATGCAGTGGGTGGCGGACAACATTGCGGCGTTTGGCGGCGACCCGACCAAGGTGACCATC
TTTGGCGAGCTGGCGGGCAGCATGTCGGTCATGTGCCACATTCTCTGGAACGACGGCGAC
AACACGTACAAGGGCAAGCCGCTCTTCCGCGCGGGCATCATGCAGCTGGGGGCCATGGTG
CCGCTGGACGCCGTGGACGGCATCTACGGCAACGAGATCTTTGACCTCTTGGCGTCGAAC
GCGGGCTGCGGCAGCGCCAGCGACAAGCTTGCGTGCTTGCGCGGTGTGCTGAGCGACACG
TTGGAGGACGCCACCAACAACACCCCTGGGTTCTTGGCGTACTCCTCGTTGCGGTTGCTG
TACCTCCCCCGGCCCGACGGCGTGAACATCACCGACGACATGTACGCCTTGGTGCGCGAG
GGCAAGTATGCCAACATCCCTGTGATCATCGGCGACCAGAACGACGAGGGCACCTTCTTT
GGCACCCTGCTGTTGAACGTGACCACGGATGCCCAGGCCCGCGAGTACTTCAAGCAGCTG
TTTGTCCACGCCAGCGACGCGGAGATCGACACGTTGATGACGGCGTACCCCGGCGACATC
ACCCAGGGCCTGCCGTTCGACACGGGTATTCTCAACGCCCTCACCCCGCAGTTCAAGAGA
ATCCTGGCGGTGCTCGGCGACCTTGGCTTTACGCTTGCTCGTCGCTACTTCCTCAACCAC
TACACCGGCGGCACCAAGTACTCATTCCTCCTGAAGCAGCTCCTGGGCTTGCCGGTGCTC
GGAACGTTCCACTCCAACGACATTGTCTTCCAGGACTACTTGTTGGGCAGCGGCTCGCTC
ATCTACAACAACGCGTTCATTGCGTTTGCCACGGACTTGGACCCCAACACCGCGGGGTTG
TTGGTGAAGTGGCCCGAGTACACCAGCAGCCTGCAGCTGGGCAACAACTTGATGATGATC
AACGCCTTGGGCTTGTACACCGGCAAGGACAACTTCCGCACCGCCGGCTACGACGCGTTG
TTCTCCAACCCGCCGCTGTTCTTTGTGTAA
PF00135
COesterase
BE0001194
Fatty acid-binding protein, adipocyte
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
Fatty acid-binding protein, adipocyte
Involved in factty acid binding
Lipid transport protein in adipocytes. Binds both long chain fatty acid and retinoic acid
FABP4
8q21
Cytoplasm (Potential)
None
7.25
14719.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:3559
GenAtlas
FABP4
GeneCards
FABP4
GenBank Gene Database
J02874
GenBank Protein Database
178347
UniProtKB
P15090
UniProt Accession
FABP4_HUMAN
A-FABP
Adipocyte lipid-binding protein
AFABP
ALBP
>Fatty acid-binding protein, adipocyte
MCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKN
TEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVM
KGVTSTRVYERA
>399 bp
ATGTGTGATGCTTTTGTAGGTACCTGGAAACTTGTCTCCAGTGAAAACTTTGATGATTAT
ATGAAAGAAGTAGGAGTGGGCTTTGCCACCAGGAAAGTGGCTGGCATGGCCAAACCTAAC
ATGATCATCAGTGTGAATGGGGATGTGATCACCATTAAATCTGAAAGTACCTTTAAAAAT
ACTGAGATTTCCTTCATACTGGGCCAGGAATTTGACGAAGTCACTGCAGATGACAGGAAA
GTCAAGAGCACCATAACCTTAGATGGGGGTGTCCTGGTACATGTGCAGAAATGGGATGGA
AAATCAACCACCATAAAGAGAAAACGAGAGGATGATAAACTGGTGGTGGAATGCGTCATG
AAAGGCGTCACTTCCACGAGAGTTTATGAGAGAGCATAA
PF00061
Lipocalin
function
lipid binding
function
binding
process
cellular physiological process
process
transport
process
physiological process
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object