Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02764"
Predicate | Value (sorted: default) |
---|---|
rdfs:label |
"Hexane"
|
rdf:type | |
drugbank:description |
"
110-54-3
experimental
Willy D. Kollmeyer, "Process for preparing 3-azabicyclo(3.1.0)hexane-2-carbonitrile." U.S. Patent US4225499, issued August, 1949.
This compound belongs to the polyamines. These are compounds containing more than one amine group.
Polyamines
Organic Compounds
Organonitrogen Compounds
Amines
Polyamines
Acyclic Alkanes
acyclic alkane
hydrocarbon
Adhesives
logP
4.02
ALOGPS
logS
-3.4
ALOGPS
Water Solubility
3.33e-02 g/l
ALOGPS
logP
3.13
ChemAxon
IUPAC Name
hexane
ChemAxon
Traditional IUPAC Name
hexane
ChemAxon
Molecular Weight
86.1754
ChemAxon
Monoisotopic Weight
86.109550448
ChemAxon
SMILES
CCCCCC
ChemAxon
Molecular Formula
C6H14
ChemAxon
InChI
InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3
ChemAxon
InChIKey
InChIKey=VLKZOEOYAKHREP-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
0
ChemAxon
Refractivity
29.41
ChemAxon
Polarizability
12.3
ChemAxon
Rotatable Bond Count
3
ChemAxon
H Bond Acceptor Count
0
ChemAxon
H Bond Donor Count
0
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Water Solubility
9.5 mg/L (at 25 °C)
MCAULIFFE,C (1966)
Melting Point
-95.3 °C
PhysProp
Boiling Point
68.7 °C
PhysProp
logP
3.90
HANSCH,C ET AL. (1995)
logS
-3.84
ADME Research, USCD
ChEBI
29021
PubChem Compound
8058
PubChem Substance
46507914
KEGG Compound
C11271
ChemSpider
7767
PDB
HEX
Wikipedia
Hexane
BE0001603
Triosephosphate isomerase, glycosomal
Trypanosoma cruzi
# 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
Triosephosphate isomerase, glycosomal
Carbohydrate transport and metabolism
D-glyceraldehyde 3-phosphate = glycerone phosphate
Glycosome
None
8.61
27330.0
Trypanosoma cruzi
GenBank Gene Database
U53867
GenBank Protein Database
1289358
UniProtKB
P52270
UniProt Accession
TPIS_TRYCR
EC 5.3.1.1
TIM
Triose- phosphate isomerase
>Triosephosphate isomerase, glycosomal
MASKPQPIAAANWKCNGSESLLVPLIETLNAATFDHDVQCVVAPTFLHIPMTKARLTNPK
FQIAAQNAITRSGAFTGEVSLQILKDYGISWVVLGHSERRLYYGETNEIVAEKVAQACAA
GFHVIVCVGETNEEREAGRTAAVVLTQLAAVAQKLSKEAWSRVVIAYEPVWAIGTGKVAT
PQQAQEVHELLRRWVRSKLGTDIAAQLRILYGGSVTAKNARTLYQMRDINGFLVGGASLK
PEFVEIIEATK
>756 bp
ATGGCATCGAAGCCTCAACCCATCGCCGCCGCAAACTGGAAGTGCAACGGCTCCGAGAGT
TTGCTTGTACCACTCATCGAGACGCTCAATGCAGCGACTTTTGATCACGATGTGCAATGC
GTGGTTGCGCCCACCTTTCTCCACATCCCAATGACGAAGGCGAGGCTCACCAACCCCAAG
TTCCAGATTGCCGCACAGAACGCGATCACAAGGTCGGGCGCTTTCACGGGGGAAGTCTCT
CTGCAGATCCTCAAGGACTATGGAATCAGCTGGGTTGTGTTGGGCCATTCGGAACGGCGT
TTGTACTACGGCGAAACGAACGAAATCGTTGCGGAAAAGGTGGCGCAGGCCTGCGCTGCC
GGCTTCCATGTCATCGTCTGTGTTGGCGAAACCAACGAGGAGCGGGAAGCTGGCCGCACG
GCAGCCGTCGTGTTGACGCAGCTCGCCGCTGTCGCGCAGAAGCTTAGTAAGGAGGCGTGG
TCTCGCGTCGTTATTGCCTACGAGCCCGTGTGGGCAATCGGCACCGGTAAAGTGGCAACC
CCGCAGCAGGCGCAGGAGGTCCATGAATTGCTGCGCCGTTGGGTGCGGAGCAAATTGGGC
ACTGACATCGCCGCGCAACTGCGCATCTTGTATGGCGGGTCCGTGACCGCCAAAAATGCA
CGCACGCTATATCAGATGCGCGACATCAACGGCTTCCTTGTGGGCGGTGCCTCGCTCAAG
CCGGAGTTTGTTGAAATCATTGAGGCCACGAAGTAG
PF00121
TIM
function
intramolecular oxidoreductase activity, interconverting aldoses and ketoses
function
triose-phosphate isomerase activity
function
catalytic activity
function
isomerase activity
function
intramolecular oxidoreductase activity
process
physiological process
process
metabolism
BE0001854
Glycolipid transfer protein
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
Glycolipid transfer protein
Involved in glycolipid binding
Accelerates the intermembrane transfer of various glycolipids. Catalyzes the transfer of various glycosphingolipids and glyceroglycolipids between membranes but does not catalyze the transfer of phospholipids. It is possible that it is involved in the intracellular translocation of glucosylceramides
GLTP
12q24.11
Cytoplasm
None
7.49
23850.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:24867
GenAtlas
GLTP
GeneCards
GLTP
GenBank Gene Database
AF209704
GenBank Protein Database
6959686
UniProtKB
Q9NZD2
UniProt Accession
GLTP_HUMAN
GLTP
>Glycolipid transfer protein
MALLAEHLLKPLPADKQIETGPFLEAVSHLPPFFDCLGSPVFTPIKADISGNITKIKAVY
DTNPAKFRTLQNILEVEKEMYGAEWPKVGATLALMWLKRGLRFIQVFLQSICDGERDENH
PNLIRVNATKAYEMALKKYHGWIVQKIFQAALYAAPYKSDFLKALSKGQNVTEEECLEKI
RLFLVNYTATIDVIYEMYTQMNAELNYKV
>630 bp
ATGGCGCTGCTGGCGGAGCACTTGCTGAAGCCGCTGCCCGCGGACAAGCAGATCGAGACC
GGGCCCTTCCTCGAGGCGGTGTCCCACCTGCCGCCCTTCTTCGATTGCCTTGGGTCCCCA
GTGTTTACTCCCATCAAGGCAGACATAAGCGGCAACATCACGAAAATCAAAGCTGTGTAC
GACACCAACCCAGCCAAGTTCCGGACCCTGCAGAACATCCTGGAGGTGGAGAAAGAAATG
TATGGAGCAGAGTGGCCCAAAGTAGGGGCCACACTGGCGCTGATGTGGCTGAAAAGAGGC
CTCCGCTTCATCCAGGTCTTCCTCCAGAGCATCTGCGACGGGGAGCGGGACGAGAACCAC
CCCAACCTCATCCGTGTCAACGCCACCAAGGCCTACGAGATGGCCCTCAAGAAGTACCAT
GGCTGGATCGTGCAGAAGATCTTCCAGGCAGCACTGTACGCAGCACCCTATAAGTCTGAC
TTCCTGAAAGCGCTCTCCAAGGGGCAGAATGTTACGGAGGAGGAGTGCCTGGAGAAGATC
CGCCTCTTCCTAGTCAACTACACGGCGACCATCGATGTCATCTACGAGATGTACACCCAG
ATGAACGCTGAGCTCAACTACAAGGTGTAG
BE0001739
Trypsin-1
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
Trypsin-1
Involved in protease activity
Preferential cleavage:Arg-|-Xaa, Lys-|-Xaa
PRSS1
7q32-qter|7q34
Secreted protein; extracellular space
None
6.48
26558.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:9475
GenAtlas
PRSS1
GeneCards
PRSS1
GenBank Gene Database
M22612
GenBank Protein Database
521216
UniProtKB
P07477
UniProt Accession
TRY1_HUMAN
Cationic trypsinogen
EC 3.4.21.4
Serine protease 1
Trypsin I
Trypsin-1 precursor
>Trypsin-1 precursor
MNPLLILTFVAAALAAPFDDDDKIVGGYNCEENSVPYQVSLNSGYHFCGGSLINEQWVVS
AGHCYKSRIQVRLGEHNIEVLEGNEQFINAAKIIRHPQYDRKTLNNDIMLIKLSSRAVIN
ARVSTISLPTAPPATGTKCLISGWGNTASSGADYPDELQCLDAPVLSQAKCEASYPGKIT
SNMFCVGFLEGGKDSCQGDSGGPVVCNGQLQGVVSWGDGCAQKNKPGVYTKVYNYVKWIK
NTIAANS
>744 bp
ATGAATCCACTCCTGATCCTTACCTTTGTGGCAGCTGCTCTTGCTGCCCCCTTTGATGAT
GATGACAAGATCGTTGGGGGCTACAACTGTGAGGAGAATTCTGTCCCCTACCAGGTGTCC
CTGAATTCTGGCTACCACTTCTGTGGTGGCTCCCTCATCAACGAACAGTGGGTGGTATCA
GCAGGCCACTGCTACAAGTCCCGCATCCAGGTGAGACTGGGAGAGCACAACATCGAAGTC
CTGGAGGGGAATGAGCAGTTCATCAATGCAGCCAAGATCATCCGCCACCCCCAATACGAC
AGGAAGACTCTGAACAATGACATCATGTTAATCAAGCTCTCCTCACGTGCAGTAATCAAC
GCCCGCGTGTCCACCATCTCTCTGCCCACCGCCCCTCCAGCCACTGGCACGAAGTGCCTC
ATCTCTGGCTGGGGCAACACTGCGAGCTCTGGCGCCGACTACCCAGACGAGCTGCAGTGC
CTGGATGCTCCTGTGCTGAGCCAGGCTAAGTGTGAAGCCTCCTACCCTGGAAAGATTACC
AGCAACATGTTCTGTGTGGGCTTCCTTGAGGGAGGCAAGGATTCATGTCAGGGTGATTCT
GGTGGCCCTGTGGTCTGCAATGGACAGCTCCAAGGAGTTGTCTCCTGGGGTGATGGCTGT
GCCCAGAAGAACAAGCCTGGAGTCTACACCAAGGTCTACAACTACGTGAAATGGATTAAG
AACACCATAGCTGCCAATAGCTAA
PF00089
Trypsin
function
catalytic activity
function
hydrolase activity
function
peptidase activity
function
endopeptidase activity
function
serine-type endopeptidase activity
process
metabolism
process
macromolecule metabolism
process
protein metabolism
process
cellular protein metabolism
process
proteolysis
process
physiological process
"
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drugbank:drugCategory | |
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