Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB01789"
| Predicate | Value (sorted: none) |
|---|---|
| rdfs:label |
"1-Amino-2,3-Dihydroxy-5-Hydroxymethyl Cyclohex-5-Ene"
|
| owl:sameAs | |
| ns1:description |
"
experimental
This compound belongs to the cyclic alcohols and derivatives. These are organic compounds containing an aliphatic ring substituted with at least one hydroxyl group.
Cyclic Alcohols and Derivatives
Organic Compounds
Organooxygen Compounds
Alcohols and Polyols
Cyclic Alcohols and Derivatives
Secondary Alcohols
1,2-Diols
Primary Alcohols
Polyamines
Monoalkylamines
polyamine
primary alcohol
primary amine
amine
primary aliphatic amine
organonitrogen compound
logP
-1.9
ALOGPS
logS
0.26
ALOGPS
Water Solubility
2.93e+02 g/l
ALOGPS
logP
-2.2
ChemAxon
IUPAC Name
(1R,2R,3S)-3-amino-5-(hydroxymethyl)cyclohex-4-ene-1,2-diol
ChemAxon
Traditional IUPAC Name
(1R,2R,3S)-3-amino-5-(hydroxymethyl)cyclohex-4-ene-1,2-diol
ChemAxon
Molecular Weight
159.183
ChemAxon
Monoisotopic Weight
159.089543287
ChemAxon
SMILES
N[C@H]1C=C(CO)C[C@@H](O)[C@@H]1O
ChemAxon
Molecular Formula
C7H13NO3
ChemAxon
InChI
InChI=1S/C7H13NO3/c8-5-1-4(3-9)2-6(10)7(5)11/h1,5-7,9-11H,2-3,8H2/t5-,6+,7+/m0/s1
ChemAxon
InChIKey
InChIKey=BMZJPVSGERKRHP-RRKCRQDMSA-N
ChemAxon
Polar Surface Area (PSA)
86.71
ChemAxon
Refractivity
40.68
ChemAxon
Polarizability
16.27
ChemAxon
Rotatable Bond Count
1
ChemAxon
H Bond Acceptor Count
4
ChemAxon
H Bond Donor Count
4
ChemAxon
pKa (strongest acidic)
13.43
ChemAxon
pKa (strongest basic)
8.61
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
46936215
PubChem Substance
46506516
ChemSpider
4364960
PDB
ADH
BE0001243
Cyclomaltodextrin glucanotransferase
Bacillus circulans
# 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
Cyclomaltodextrin glucanotransferase
Carbohydrate transport and metabolism
Cyclizes part of a 1,4-alpha-D-glucan chain by formation of a 1,4-alpha-D-glucosidic bond
Cytoplasmic
None
6.65
78047.0
Bacillus circulans
GenBank Gene Database
X68326
GenBank Protein Database
39420
UniProtKB
P30920
UniProt Accession
CDGT1_BACCI
CGTase
Cyclodextrin-glycosyltransferase
Cyclomaltodextrin glucanotransferase precursor
EC 2.4.1.19
>Cyclomaltodextrin glucanotransferase precursor
MFQMAKRAFLSTTLTLGLLAGSALPFLPASAVYADPDTAVTNKQSFSTDVIYQVFTDRFL
DGNPSNNPTGAAYDATCSNLKLYCGGDWQGLINKINDNYFSDLGVTALWISQPVENIFAT
INYSGVTNTAYHGYWARDFKKTNPYFGTMADFQNLITTAHAKGIKIVIDFAPNHTSPAME
TDTSFAENGRLYDNGTLVGGYTNDTNGYFHHNGGSDFSSLENGIYKNLYDLADFNHNNAT
IDKYFKDAIKLWLDMGVDGIRVDAVKHMPLGWQKSWMSSIYAHKPVFTFGEWFLGSAASD
ADNTDFANKSGMSLLDFRFNSAVRNVFRDNTSNMYALDSMINSTATDYNQVNDQVTFIDN
HDMDRFKTSAVNNRRLEQALAFTLTSRGVPAIYYGTEQYLTGNGDPDNRAKMPSFSKSTT
AFNVISKLAPLRKSNPAIAYGSTQQRWINNDVYVYERKFGKSVAVVAVNRNLSTSASITG
LSTSLPTGSYTDVLGGVLNGNNITSTNGSINNFTLAAGATAVWQYTTAETTPTIGHVGPV
MGKPGNVVTIDGRGFGSTKGTVYFGTTAVTGAAITSWEDTQIKVTIPSVAAGNYAVKVAA
SGVNSNAYNNFTILTGDQVTVRFVVNNASTTLGQNLYLTGNVAELGNWSTGSTAIGPAFN
QVIHQYPTWYYDVSVPAGKQLEFKFFKKNGSTITWESGSNHTFTTPASGTATVTVNWQ
>2157 bp
ATGTTTCAAATGGCCAAACGCGCATTCCTCAGCACCACACTGACCCTCGGCTTGCTTGCC
GGCAGCGCCCTGCCGTTCTTGCCAGCTTCCGCTGTATACGCCGATCCGGACACTGCTGTG
ACCAACAAACAGAGCTTCAGTACAGATGTGATCTACCAAGTATTTACGGATCGCTTTTTG
GACGGCAATCCCTCCAACAACCCCACCGGAGCCGCTTATGATGCCACATGCAGCAATTTG
AAGCTGTACTGCGGCGGAGACTGGCAAGGGTTAATCAACAAAATCAACGATAACTATTTC
AGTGATCTGGGTGTCACAGCGTTGTGGATCTCCCAGCCTGTCGAAAATATTTTTGCGACG
ATCAACTATAGCGGTGTAACCAATACTGCCTACCACGGCTACTGGGCTCGAGACTTCAAA
AAGACCAATCCGTACTTCGGCACGATGGCGGACTTTCAGAACCTGATTACGACGGCTCAT
GCCAAAGGCATCAAGATTGTCATTGACTTTGCACCGAATCACACCTCTCCAGCGATGGAA
ACCGACACCTCTTTTGCCGAAAATGGCAGACTGTACGATAACGGTACACTGGTAGGCGGT
TATACCAATGATACCAACGGGTACTTCCATCACAATGGCGGCTCCGACTTCTCTTCCCTG
GAGAACGGCATCTACAAAAACCTGTATGACCTGGCCGACTTCAACCACAATAATGCGACC
ATCGACAAATACTTCAAAGATGCGATCAAACTGTGGCTTGATATGGGCGTTGACGGTATT
CGGGTGGATGCGGTGAAACATATGCCTCTCGGTTGGCAAAAGAGCTGGATGTCCTCCATC
TACGCACACAAACCCGTGTTCACTTTTGGAGAATGGTTCTTGGGATCAGCTGCATCCGAT
GCAGATAACACGGATTTTGCTAACAAGTCTGGTATGAGCCTGCTCGACTTCCGCTTTAAC
TCTGCGGTGCGTAATGTGTTCCGTGACAACACGTCCAACATGTACGCTCTGGATTCCATG
ATTAACAGCACAGCTACGGACTACAACCAAGTGAACGATCAGGTGACGTTCATCGACAAC
CATGATATGGATCGTTTCAAAACAAGTGCGGTCAACAATCGCCGTCTGGAACAGGCTTTG
GCCTTCACATTGACTTCACGTGGTGTACCTGCCATCTACTATGGTACTGAACAGTATTTG
ACGGGGAATGGCGATCCAGATAACCGGGCCAAAATGCCTTCGTTCTCCAAATCCACTACA
GCTTTTAACGTCATAAGTAAACTCGCGCCTCTGCGCAAATCCAATCCGGCCATTGCCTAC
GGTTCCACACAGCAGCGCTGGATTAATAATGATGTATATGTTTATGAGCGTAAATTCGGC
AAGAGCGTAGCCGTTGTCGCGGTAAACCGCAATCTTTCCACGTCTGCAAGCATTACAGGG
TTAAGCACTTCCCTGCCTACAGGCTCATACACGGATGTGCTTGGCGGGGTGCTGAACGGA
AATAACATCACCTCCACGAATGGTAGCATTAACAACTTCACCCTTGCTGCGGGTGCAACG
GCAGTATGGCAATACACAACTGCCGAAACAACACCAACCATCGGTCATGTTGGTCCGGTT
ATGGGGAAACCCGGTAATGTGGTGACAATTGATGGCCGTGGATTCGGCTCGACGAAAGGC
ACGGTCTACTTCGGCACTACAGCGGTTACCGGAGCAGCGATTACGTCTTGGGAAGATACA
CAGATTAAAGTAACCATCCCTTCCGTTGCCGCTGGCAACTATGCAGTCAAAGTTGCGGCA
AGCGGGGTAAACAGCAATGCATACAACAACTTCACCATCCTGACTGGCGATCAGGTCACC
GTTCGCTTCGTCGTAAACAATGCGTCCACAACGCTTGGACAGAACCTCTATTTGACAGGC
AACGTAGCCGAGCTTGGCAACTGGAGCACCGGTTCGACTGCCATTGGACCCGCATTCAAT
CAGGTCATTCATCAATACCCAACCTGGTACTATGATGTCAGCGTACCGGCAGGCAAACAG
CTGGAGTTCAAATTTTTCAAGAAAAACGGTTCAACGATTACATGGGAAAGCGGTTCTAAC
CACACATTCACTACACCAGCGAGCGGAACAGCCACCGTTACGGTGAACTGGCAGTAA
PF01833
TIG
PF00128
Alpha-amylase
PF02806
Alpha-amylase_C
PF00686
CBM_20
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
"
|
| rdf:type |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object