Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB01998"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"2-[3,4-Dihydroxy-2-Hydroxymethyl-5-(2-Hydroxy-Nonyl)-Tetrahydro-Furan-2-Yloxy]-6-Hydroxymethyl-Tetra Hydro-Pyran-3,4,5-Triol"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the alkyl glycosides. These are lipids containing a glycosyl moiety (one or several units) linked to the hydroxyl group of a fatty alcohol.
Alkyl Glycosides
Organic Compounds
Lipids
Alkyl Glycosides
O-glycosyl Compounds
C-glycosyl Compounds
Hexoses
Fatty Alcohols
Oxanes
Tetrahydrofurans
Oxolanes
Secondary Alcohols
1,2-Diols
Polyamines
Acetals
Primary Alcohols
fatty alcohol
oxane
saccharide
monosaccharide
tetrahydrofuran
oxolane
polyol
1,2-diol
secondary alcohol
primary alcohol
polyamine
acetal
ether
alcohol
logP
-0.81
ALOGPS
logS
-1.5
ALOGPS
Water Solubility
1.50e+01 g/l
ALOGPS
logP
-1.3
ChemAxon
IUPAC Name
(2R,3S,4R,5R,6S)-2-{[(2S,3R,4R,5S)-3,4-dihydroxy-2-(hydroxymethyl)-5-[(2R)-2-hydroxynonyl]oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
ChemAxon
Traditional IUPAC Name
(2R,3S,4R,5R,6S)-2-{[(2S,3R,4R,5S)-3,4-dihydroxy-2-(hydroxymethyl)-5-[(2R)-2-hydroxynonyl]oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
ChemAxon
Molecular Weight
454.5091
ChemAxon
Monoisotopic Weight
454.241412058
ChemAxon
SMILES
CCCCCCC[C@@H](O)C[C@@H]1O[C@@](CO)(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O
ChemAxon
Molecular Formula
C20H38O11
ChemAxon
InChI
InChI=1S/C20H38O11/c1-2-3-4-5-6-7-11(23)8-12-15(25)18(28)20(10-22,30-12)31-19-17(27)16(26)14(24)13(9-21)29-19/h11-19,21-28H,2-10H2,1H3/t11-,12+,13+,14+,15+,16-,17+,18-,19-,20+/m1/s1
ChemAxon
InChIKey
InChIKey=IMFJFQAURAFEAH-WXZRAZJNSA-N
ChemAxon
Polar Surface Area (PSA)
189.53
ChemAxon
Refractivity
105.59
ChemAxon
Polarizability
47.33
ChemAxon
Rotatable Bond Count
12
ChemAxon
H Bond Acceptor Count
11
ChemAxon
H Bond Donor Count
8
ChemAxon
pKa (strongest acidic)
11.85
ChemAxon
pKa (strongest basic)
-2.7
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
0
ChemAxon
PubChem Compound
46936281
PubChem Substance
46507361
ChemSpider
2610458
PDB
SUM
BE0000952
Alpha-1-antitrypsin
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
unknown
Alpha-1-antitrypsin
Involved in serine-type endopeptidase inhibitor activity
Inhibitor of serine proteases. Its primary target is elastase, but it also has a moderate affinity for plasmin and thrombin
SERPINA1
14q32.1
Secreted protein
None
5.31
46737.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:8941
GenAtlas
SERPINA1
GeneCards
SERPINA1
GenBank Gene Database
K01396
GenBank Protein Database
177829
UniProtKB
P01009
UniProt Accession
A1AT_HUMAN
Alpha-1 protease inhibitor
Alpha-1- antiproteinase
Alpha-1-antitrypsin precursor
>Alpha-1-antitrypsin precursor
MPSSVSWGILLLAGLCCLVPVSLAEDPQGDAAQKTDTSHHDQDHPTFNKITPNLAEFAFS
LYRQLAHQSNSTNIFFSPVSIATAFAMLSLGTKADTHDEILEGLNFNLTEIPEAQIHEGF
QELLRTLNQPDSQLQLTTGNGLFLSEGLKLVDKFLEDVKKLYHSEAFTVNFGDTEEAKKQ
INDYVEKGTQGKIVDLVKELDRDTVFALVNYIFFKGKWERPFEVKDTEEEDFHVDQVTTV
KVPMMKRLGMFNIQHCKKLSSWVLLMKYLGNATAIFFLPDEGKLQHLENELTHDIITKFL
ENEDRRSASLHLPKLSITGTYDLKSVLGQLGITKVFSNGADLSGVTEEAPLKLSKAVHKA
VLTIDEKGTEAAGAMFLEAIPMSIPPEVKFNKPFVFLMIEQNTKSPLFMGKVVNPTQK
>1257 bp
ATGCCGTCTTCTGTCTCGTGGGGCATCCTCCTGCTGGCAGGCCTGTGCTGCCTGGTCCCT
GTCTCCCTGGCTGAGGATCCCCAGGGAGATGCTGCCCAGAAGACAGATACATCCCACCAT
GATCAGGATCACCCAACCTTCAACAAGATCACCCCCAACCTGGCTGAGTTCGCCTTCAGC
CTATACCGCCAGCTGGCACACCAGTCCAACAGCACCAATATCTTCTTCTCCCCAGTGAGC
ATCGCTACAGCCTTTGCAATGCTCTCCCTGGGGACCAAGGCTGACACTCACGATGAAATC
CTGGAGGGCCTGAATTTCAACCTCACGGAGATTCCGGAGGCTCAGATCCATGAAGGCTTC
CAGGAACTCCTCCGTACCCTCAACCAGCCAGACAGCCAGCTCCAGCTGACCACCGGCAAT
GGCCTGTTCCTCAGCGAGGGCCTGAAGCTAGTGGATAAGTTTTTGGAGGATGTTAAAAAG
TTGTACCACTCAGAAGCCTTCACTGTCAACTTCGGGGACACCGAAGAGGCCAAGAAACAG
ATCAACGATTACGTGGAGAAGGGTACTCAAGGGAAAATTGTGGATTTGGTCAAGGAGCTT
GACAGAGACACAGTTTTTGCTCTGGTGAATTACATCTTCTTTAAAGGCAAATGGGAGAGA
CCCTTTGAAGTCAAGGACACCGAGGAAGAGGACTTCCACGTGGACCAGGTGACCACCGTG
AAGGTGCCTATGATGAAGCGTTTAGGCATGTTTAACATCCAGCACTGTAAGAAGCTGTCC
AGCTGGGTGCTGCTGATGAAATACCTGGGCAATGCCACCGCCATCTTCTTCCTGCCTGAT
GAGGGGAAACTACAGCACCTGGAAAATGAACTCACCCACGATATCATCACCAAGTTCCTG
GAAAATGAAGACAGAAGGTCTGCCAGCTTACATTTACCCAAACTGTCCATTACTGGAACC
TATGATCTGAAGAGCGTCCTGGGTCAACTGGGCATCACTAAGGTCTTCAGCAATGGGGCT
GACCTCTCCGGGGTCACAGAGGAGGCACCCCTGAAGCTCTCCAAGGCCGTGCATAAGGCT
GTGCTGACCATCGACGAGAAAGGGACTGAAGCTGCTGGGGCCATGTTTTTAGAGGCCATA
CCCATGTCTATCCCCCCCGAGGTCAAGTTCAACAAACCCTTTGTCTTCTTAATGATTGAA
CAAAATACCAAGTCTCCCCTCTTCATGGGAAAAGTGGTGAATCCCACCCAAAAATAA
PF00079
Serpin
function
protease inhibitor activity
function
endopeptidase inhibitor activity
function
serine-type endopeptidase inhibitor activity
function
enzyme regulator activity
function
enzyme inhibitor activity
"
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| 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