Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04164"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"1,4-Deoxy-4-((5-Hydroxymethyl-2,3,4-Trihydroxycyclohex-5-Enyl)Amino)Fructose"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the aminocyclitols and derivatives. These are cyclitols with at least one hydroxyl group replace by an amino group.
Aminocyclitols and Derivatives
Organic Compounds
Organooxygen Compounds
Alcohols and Polyols
Cyclic Alcohols and Derivatives
Oxanes
Secondary Alcohols
1,2-Aminoalcohols
1,2-Diols
Ethers
Dialkylamines
Primary Alcohols
Polyamines
oxane
1,2-diol
1,2-aminoalcohol
secondary alcohol
polyol
polyamine
secondary amine
primary alcohol
ether
secondary aliphatic amine
amine
organonitrogen compound
logP
-2.1
ALOGPS
logS
-0.27
ALOGPS
Water Solubility
1.64e+02 g/l
ALOGPS
logP
-3.7
ChemAxon
IUPAC Name
(1R,2S,3R,6R)-6-{[(2R,3R,4S,5S)-4,5-dihydroxy-2-methyloxan-3-yl]amino}-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
ChemAxon
Traditional IUPAC Name
(1R,2S,3R,6R)-6-{[(2R,3R,4S,5S)-4,5-dihydroxy-2-methyloxan-3-yl]amino}-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
ChemAxon
Molecular Weight
305.3242
ChemAxon
Monoisotopic Weight
305.147452095
ChemAxon
SMILES
C[C@H]1OC[C@H](O)[C@@H](O)[C@H]1N[C@@H]1C=C(CO)[C@@H](O)[C@H](O)[C@@H]1O
ChemAxon
Molecular Formula
C13H23NO7
ChemAxon
InChI
InChI=1S/C13H23NO7/c1-5-9(12(19)8(16)4-21-5)14-7-2-6(3-15)10(17)13(20)11(7)18/h2,5,7-20H,3-4H2,1H3/t5-,7-,8+,9+,10-,11-,12-,13+/m1/s1
ChemAxon
InChIKey
InChIKey=LTAGIBUDYBSPEG-HCDBHUNCSA-N
ChemAxon
Polar Surface Area (PSA)
142.64
ChemAxon
Refractivity
71.75
ChemAxon
Polarizability
29.99
ChemAxon
Rotatable Bond Count
3
ChemAxon
H Bond Acceptor Count
8
ChemAxon
H Bond Donor Count
7
ChemAxon
pKa (strongest acidic)
12.65
ChemAxon
pKa (strongest basic)
7.04
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
PubChem Compound
46936908
PubChem Substance
46504993
ChemSpider
3819398
PDB
DAF
BE0001625
Alpha-amylase
Pseudoalteromonas haloplanktis
# 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-amylase
Carbohydrate transport and metabolism
Endohydrolysis of 1,4-alpha-D-glucosidic linkages in oligosaccharides and polysaccharides
amy
Cytoplasmic
None
4.7
73268.0
Pseudoalteromonas haloplanktis
GenBank Gene Database
X58627
GenBank Protein Database
2879820
UniProtKB
P29957
UniProt Accession
AMY_PSEHA
1,4-alpha-D-glucan glucanohydrolase
Alpha-amylase precursor
EC 3.2.1.1
>Alpha-amylase precursor
MKLNKIITTAGLSLGLLLPSIATATPTTFVHLFEWNWQDVAQECEQYLGPKGYAAVQVSP
PNEHITGSQWWTRYQPVSYELQSRGGNRAQFIDMVNRCSAAGVDIYVDTLINHMAAGSGT
GTAGNSFGNKSFPIYSPQDFHESCTINNSDYGNDRYRVQNCELVGLADLDTASNYVQNTI
AAYINDLQAIGVKGFRFDASKHVAASDIQSLMAKVNGSPVVFQEVIDQGGEAVGASEYLS
TGLVTEFKYSTELGNTFRNGSLAWLSNFGEGWGFMPSSSAVVFVDNHDNQRGHGGAGNVI
TFEDGRLYDLANVFMLAYPYGYPKVMSSYDFHGDTDAGGPNVPVHNNGNLECFASNWKCE
HRWSYIAGGVDFRNNTADNWAVTNWWDNTNNQISFGRGSSGHMAINKEDSTLTATVQTDM
ASGQYCNVLKGELSADAKSCSGEVITVNSDGTINLNIGAWDAMAIHKNAKLNTSSASSTE
SDWQRTVIFINAQTQSGQDMFIRGGIDHAYANANLGRNCQTSNFECAMPIRHNNLKNVTT
SPWKANDNYLDWYGIENGQSSEAEGSATDWTTNVWPAGWGAEKTVNTDGFGVTPLNIWGE
HYWMLDVDMDCSKAVNGWFELKAFIKNGQGWETAIAQDNAPYTSTNHMAQCGKINKFEFN
NSGVVIRSF
>2010 bp
ATGAAACTCAATAAAATAATCACCACCGCAGGTTTAAGCCTAGGGTTGCTCTTACCTAGC
ATTGCGACTGCTACGCCCACCACATTTGTACATTTGTTTGAATGGAATTGGCAAGATGTA
GCGCAAGAATGTGAGCAATACCTAGGACCAAAAGGCTACGCTGCAGTACAGGTCTCGCCA
CCTAATGAGCACATTACAGGAAGCCAATGGTGGACACGTTATCAGCCAGTAAGTTATGAA
CTGCAAAGTCGTGGCGGAAACCGTGCACAGTTTATCGATATGGTAAATCGCTGTAGTGCA
GCTGGGGTTGATATTTACGTTGATACGCTTATTAACCATATGGCAGCAGGAAGTGGCACA
GGCACGGCGGGAAATAGCTTTGGTAATAAAAGCTTTCCTATTTATAGCCCACAAGATTTT
CATGAAAGTTGTACCATTAATAACTCTGATTATGGCAACGATCGCTACCGAGTACAAAAC
TGTGAACTAGTTGGACTTGCCGATTTAGATACCGCTTCAAACTATGTGCAAAATACCATT
GCAGCATATATTAACGACTTACAAGCTATTGGCGTAAAAGGCTTTCGGTTTGATGCTTCT
AAACATGTTGCAGCAAGCGATATCCAAAGTTTAATGGCCAAAGTAAATGGCTCGCCAGTG
GTTTTTCAAGAAGTGATCGATCAAGGTGGGGAGGCTGTTGGTGCCTCTGAATATTTAAGC
ACAGGTTTAGTAACTGAATTTAAATATAGCACTGAGCTTGGTAACACTTTTAGAAACGGC
TCGCTTGCATGGCTGAGTAATTTTGGCGAAGGGTGGGGCTTTATGCCAAGCTCTTCTGCG
GTGGTTTTTGTAGACAATCACGACAATCAGCGCGGGCACGGCGGCGCTGGCAATGTTATT
ACCTTTGAAGATGGCCGCTTATATGACTTAGCCAATGTATTTATGTTGGCTTATCCGTAC
GGTTATCCAAAAGTAATGTCGAGTTATGATTTTCATGGTGATACAGATGCTGGTGGGCCA
AATGTACCGGTACATAATAATGGTAACTTAGAGTGTTTTGCGAGTAATTGGAAGTGTGAG
CATCGCTGGTCATATATTGCAGGCGGGGTCGATTTTAGAAATAACACCGCCGACAACTGG
GCAGTAACAAATTGGTGGGATAACACAAATAATCAAATTTCATTTGGCCGAGGTAGCTCG
GGTCATATGGCTATTAACAAAGAAGACTCAACACTTACTGCAACTGTGCAAACCGATATG
GCGTCAGGGCAATACTGTAATGTGCTAAAAGGCGAACTGTCAGCTGATGCTAAAAGTTGT
AGTGGTGAGGTTATAACGGTTAATTCCGACGGTACTATTAATCTTAATATTGGCGCTTGG
GATGCGATGGCAATTCATAAAAATGCCAAGTTAAATACCAGTTCTGCCTCAAGCACTGAA
AGTGACTGGCAGCGAACGGTTATTTTTATTAATGCACAAACACAAAGCGGACAAGATATG
TTTATCCGTGGTGGAATTGACCACGCTTATGCAAACGCAAACCTTGGTCGAAATTGCCAA
ACAAGTAATTTTGAGTGTGCAATGCCTATTCGTCATAACAATTTAAAAAATGTCACAACA
AGCCCTTGGAAAGCAAATGATAACTACCTTGATTGGTATGGTATAGAAAATGGGCAAAGT
AGCGAAGCAGAAGGTTCTGCTACCGACTGGACAACGAACGTTTGGCCAGCAGGTTGGGGC
GCTGAAAAAACGGTAAACACAGATGGTTTTGGTGTGACACCTTTAAATATATGGGGCGAA
CACTATTGGATGCTTGATGTAGATATGGATTGCAGTAAAGCGGTTAATGGATGGTTTGAA
CTAAAAGCATTCATTAAAAATGGCCAAGGATGGGAGACTGCCATTGCACAAGACAATGCA
CCTTATACAAGTACTAATCATATGGCGCAATGCGGAAAAATTAATAAATTTGAGTTTAAT
AATTCAGGTGTAGTAATTCGTAGTTTTTAA
PF00128
Alpha-amylase
PF02806
Alpha-amylase_C
function
catalytic activity
function
hydrolase activity
function
hydrolase activity, acting on glycosyl bonds
function
hydrolase activity, hydrolyzing O-glycosyl compounds
function
amylase activity
function
alpha-amylase activity
process
physiological process
process
metabolism
process
macromolecule metabolism
process
carbohydrate metabolism
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object