Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03857"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"1,4-Deoxy-1,4-Dithio-Beta-D-Glucopyranose"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.
Hexoses
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Monosaccharides
Oxanes
Secondary Alcohols
1,2-Diols
Ethers
Primary Alcohols
Alkylthiols
Polyamines
oxane
1,2-diol
secondary alcohol
primary alcohol
polyamine
ether
alkylthiol
alcohol
logP
-0.41
ALOGPS
logS
-1.4
ALOGPS
Water Solubility
8.09e+00 g/l
ALOGPS
logP
-1
ChemAxon
IUPAC Name
(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-2,5-disulfanyloxane-3,4-diol
ChemAxon
Traditional IUPAC Name
1,4-dithio-α-D-mannose
ChemAxon
Molecular Weight
212.287
ChemAxon
Monoisotopic Weight
212.017700252
ChemAxon
SMILES
OC[C@H]1O[C@@H](S)[C@H](O)[C@@H](O)[C@@H]1S
ChemAxon
Molecular Formula
C6H12O4S2
ChemAxon
InChI
InChI=1S/C6H12O4S2/c7-1-2-5(11)3(8)4(9)6(12)10-2/h2-9,11-12H,1H2/t2-,3-,4-,5-,6+/m1/s1
ChemAxon
InChIKey
InChIKey=MUOMBPNNVXJUGT-UKFBFLRUSA-N
ChemAxon
Polar Surface Area (PSA)
69.92
ChemAxon
Refractivity
48.35
ChemAxon
Polarizability
20.36
ChemAxon
Rotatable Bond Count
1
ChemAxon
H Bond Acceptor Count
4
ChemAxon
H Bond Donor Count
5
ChemAxon
pKa (strongest acidic)
8.59
ChemAxon
pKa (strongest basic)
-3
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
445999
PubChem Substance
46506389
PDB
SSG
BE0001335
Endoglucanase F
Clostridium cellulolyticum (strain ATCC 35319 / DSM 5812 / JCM 6584 / H10)
# 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
Endoglucanase F
Involved in endoglucanase activity
Probable endoglucanase involved in the degradation of cellulose or related beta-glucans
celCCF
Cytoplasmic
None
5.19
80545.0
Clostridium cellulolyticum (strain ATCC 35319 / DSM 5812 / JCM 6584 / H10)
GenBank Gene Database
U30321
GenBank Protein Database
927292
UniProtKB
P37698
UniProt Accession
GUNF_CLOCE
Cellulase F
EC 3.2.1.4
EGCCF
Endo-1,4-beta-glucanase F
Endoglucanase F precursor
>Endoglucanase F precursor
MSKNFKRVGAVAVAAAMSLSIMATTSINAASSPANKVYQDRFESMYSKIKDPANGYFSEQ
GIPYHSIETLMVEAPDYGHVTTSEAMSYYMWLEAMHGRFSGDFTGFDKSWSVTEQYLIPT
EKDQPNTSMSRYDANKPATYAPEFQDPSKYPSPLDTSQPVGRDPINSQLTSAYGTSMLYG
MHWILDVDNWYGFGARADGTSKPSYINTFQRGEQESTWETIPQPCWDEHKFGGQYGFLDL
FTKDTGTPAKQFKYTNAPDADARAVQATYWADQWAKEQGKSVSTSVGKATKMGDYLRYSF
FDKYFRKIGQPSQAGTGYDAAHYLLSWYYAWGGGIDSTWSWIIGSSHNHFGYQNPFAAWV
LSTDANFKPKSSNGASDWAKSLDRQLEFYQWLQSAEGAIAGGATNSWNGRYEAVPSGTST
FYGMGYVENPVYADPGSNTWFGMQVWSMQRVAELYYKTGDARAKKLLDKWAKWINGEIKF
NADGTFQIPSTIDWEGQPDTWNPTQGYTGNANLHVKVVNYGTDLGCASSLANTLTYYAAK
SGDETSRQNAQKLLDAMWNNYSDSKGISTVEQRGDYHRFLDQEVFVPAGWTGKMPNGDVI
KSGVKFIDIRSKYKQDPEWQTMVAALQAGQVPTQRLHRFWAQSEFAVANGVYAILFPDQG
PEKLLGDVNGDETVDAIDLAILKKYLLNSSTTINTANADMNSDNAIDAIDYALLKKALLS
IQ
>2169 bp
ATGAGTAAGAATTTTAAAAGAGTAGGAGCAGTTGCAGTTGCTGCTGCAATGTCATTATCT
ATAATGGCAACAACCAGCATAAATGCAGCTTCAAGTCCTGCAAACAAGGTGTACCAGGAT
CGTTTTGAATCCATGTACAGCAAGATTAAGGATCCTGCAAACGGATACTTCAGTGAACAG
GGAATTCCTTACCACTCAATTGAAACACTGATGGTCGAAGCTCCTGACTACGGACATGTT
ACAACAAGTGAAGCTATGTCCTATTATATGTGGTTGGAAGCAATGCACGGAAGATTTTCA
GGAGATTTTACAGGTTTTGATAAGTCTTGGTCTGTTACCGAACAGTATTTGATCCCAACA
GAAAAGGATCAGCCCAATACAAGTATGAGCAGATATGATGCTAACAAACCGGCTACATAC
GCTCCGGAATTTCAGGACCCAAGCAAGTATCCTTCTCCGTTGGATACTAGTCAACCTGTT
GGTAGAGATCCAATCAACTCACAATTGACTTCAGCATACGGAACAAGCATGCTGTATGGA
ATGCACTGGATACTTGACGTTGATAACTGGTATGGATTTGGAGCAAGAGCTGATGGAACC
TCCAAGCCATCATATATCAATACTTTCCAAAGAGGTGAGCAGGAGTCAACTTGGGAAACC
ATACCTCAACCATGTTGGGATGAACATAAATTTGGTGGACAGTACGGATTCCTGGATCTC
TTTACAAAGGATACAGGTACTCCGGCAAAGCAATTCAAATATACAAATGCTCCAGATGCT
GATGCTCGTGCAGTTCAAGCAACTTACTGGGCTGATCAGTGGGCAAAAGAACAAGGTAAG
AGCGTAAGTACTAGCGTAGGTAAGGCAACAAAGATGGGTGATTACCTTAGATATTCATTC
TTTGATAAGTATTTCAGAAAGATCGGACAACCTTCTCAGGCTGGTACCGGATATGATGCA
GCACATTATCTGCTTTCATGGTACTATGCATGGGGTGGTGGAATTGACTCTACCTGGTCT
TGGATAATCGGTAGCAGTCATAATCATTTCGGTTACCAGAACCCATTTGCAGCTTGGGTA
CTTTCAACAGATGCAAACTTCAAGCCTAAGTCATCAAATGGTGCATCAGACTGGGCAAAG
AGTTTGGACAGACAGCTTGAATTCTATCAGTGGTTGCAGTCAGCAGAAGGTGCTATTGCC
GGTGGAGCTACAAACTCATGGAACGGACGTTATGAAGCAGTTCCTTCAGGTACATCAACA
TTCTATGGAATGGGTTATGTAGAAAACCCTGTATATGCTGACCCAGGTAGTAACACTTGG
TTTGGTATGCAGGTATGGTCAATGCAGCGTGTAGCTGAATTGTACTATAAGACTGGCGAT
GCCAGAGCTAAGAAACTCTTAGACAAATGGGCAAAATGGATTAATGGCGAAATCAAGTTC
AATGCTGACGGAACATTCCAGATTCCTAGCACAATTGATTGGGAAGGACAGCCGGATACT
TGGAATCCAACACAGGGATACACCGGAAATGCAAACTTGCATGTTAAAGTTGTTAACTAT
GGTACTGACCTAGGTTGTGCTTCTTCACTTGCAAACACATTGACTTACTATGCTGCTAAA
TCAGGAGATGAAACTTCAAGGCAGAATGCACAGAAATTACTTGACGCTATGTGGAATAAC
TATAGCGATTCAAAGGGTATATCAACTGTTGAACAGCGTGGTGATTACCATAGATTCCTT
GATCAGGAAGTTTTTGTACCAGCTGGTTGGACTGGAAAAATGCCTAACGGCGACGTAATC
AAATCTGGTGTCAAGTTCATAGACATTCGTTCCAAGTACAAGCAGGATCCTGAATGGCAG
ACAATGGTTGCTGCATTACAGGCAGGACAGGTTCCAACTCAGAGATTACACCGTTTCTGG
GCTCAGAGTGAATTTGCAGTTGCAAATGGAGTTTATGCAATACTCTTCCCAGATCAAGGT
CCAGAAAAATTATTGGGTGATGTAAACGGTGACGAAACTGTAGACGCTATTGACCTTGCT
ATACTTAAAAAATATCTTTTAAACAGCAGTACTACAATAAATACTGCAAATGCAGATATG
AATAGTGATAATGCTATTGACGCTATTGACTATGCTCTTTTAAAGAAAGCACTTCTTTCT
ATCCAATAG
PF00404
Dockerin_1
PF02011
Glyco_hydro_48
function
ion binding
function
cation binding
function
calcium ion binding
function
hydrolase activity, acting on glycosyl bonds
function
binding
function
hydrolase activity, hydrolyzing O-glycosyl compounds
function
catalytic activity
function
hydrolase activity
process
macromolecule metabolism
process
carbohydrate metabolism
process
physiological process
process
polysaccharide metabolism
process
polysaccharide catabolism
process
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