Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB06984"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(1R,2R,3R,4S,5R)-4-(BENZYLAMINO)-5-(METHYLTHIO)CYCLOPENTANE-1,2,3-TRIOL"
|
| 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
Benzene and Substituted Derivatives
Secondary Alcohols
1,2-Diols
1,2-Aminoalcohols
Dialkylamines
Polyamines
Thioethers
benzene
1,2-diol
secondary alcohol
1,2-aminoalcohol
polyol
thioether
secondary amine
polyamine
secondary aliphatic amine
amine
organonitrogen compound
logP
-0.01
ALOGPS
logS
-1.7
ALOGPS
Water Solubility
5.64e+00 g/l
ALOGPS
logP
0.24
ChemAxon
IUPAC Name
(1R,2R,3R,4S,5R)-4-(benzylamino)-5-(methylsulfanyl)cyclopentane-1,2,3-triol
ChemAxon
Traditional IUPAC Name
(1R,2R,3R,4S,5R)-4-(benzylamino)-5-(methylsulfanyl)cyclopentane-1,2,3-triol
ChemAxon
Molecular Weight
269.36
ChemAxon
Monoisotopic Weight
269.108564169
ChemAxon
SMILES
[H][C@@]1(O)[C@]([H])(O)[C@]([H])(NCC2=CC=CC=C2)[C@@]([H])(SC)[C@]1([H])O
ChemAxon
Molecular Formula
C13H19NO3S
ChemAxon
InChI
InChI=1S/C13H19NO3S/c1-18-13-9(10(15)11(16)12(13)17)14-7-8-5-3-2-4-6-8/h2-6,9-17H,7H2,1H3/t9-,10+,11+,12+,13+/m0/s1
ChemAxon
InChIKey
InChIKey=CHTYSDQNKZIWBZ-ZOLYEBIHSA-N
ChemAxon
Polar Surface Area (PSA)
72.72
ChemAxon
Refractivity
71.72
ChemAxon
Polarizability
28.75
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
4
ChemAxon
H Bond Donor Count
4
ChemAxon
pKa (strongest acidic)
12.88
ChemAxon
pKa (strongest basic)
8.25
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
6914612
PubChem Substance
99443455
ChemSpider
5290492
PDB
2SK
BE0003505
Alpha-mannosidase 2
Human
# 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
Alpha-mannosidase 2
Carbohydrate transport and metabolism
Catalyzes the first committed step in the biosynthesis of complex N-glycans. It controls conversion of high mannose to complex N-glycans; the final hydrolytic step in the N-glycan maturation pathway
MAN2A1
Golgi apparatus membrane
6-26
7.61
131142.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:6824
GenAtlas
MAN2A1
GenBank Gene Database
D63998
UniProtKB
Q16706
UniProt Accession
MA2A1_HUMAN
Alpha-mannosidase II
EC 3.2.1.114
Golgi alpha- mannosidase II
MAN II
Mannosidase alpha class 2A member 1
Mannosyl- oligosaccharide 1,3-1,6-alpha-mannosidase
>Alpha-mannosidase 2
MKLSRQFTVFGSAIFCVVIFSLYLMLDRGHLDYPRNPRREGSFPQGQLSMLQEKIDHLER
LLAENNEIISNIRDSVINLSESVEDGPKSSQSNFSQGAGSHLLPSQLSLSVDTADCLFAS
QSGSHNSDVQMLDVYSLISFDNPDGGVWKQGFDITYESNEWDTEPLQVFVVPHSHNDPGW
LKTFNDYFRDKTQYIFNNMVLKLKEDSRRKFIWSEISYLSKWWDIIDIQKKDAVKSLIEN
GQLEIVTGGWVMPDEATPHYFALIDQLIEGHQWLENNIGVKPRSGWAIDPFGHSPTMAYL
LNRAGLSHMLIQRVHYAVKKHFALHKTLEFFWRQNWDLGSVTDILCHMMPFYSYDIPHTC
GPDPKICCQFDFKRLPGGRFGCPWGVPPETIHPGNVQSRARMLLDQYRKKSKLFRTKVLL
APLGDDFRYCEYTEWDLQFKNYQQLFDYMNSQSKFKVKIQFGTLSDFFDALDKADETQRD
KGQSMFPVLSGDFFTYADRDDHYWSGYFTSRPFYKRMDRIMESHLRAAEILYYFALRQAH
KYKINKFLSSSLYTALTEARRNLGLFQHHDAITGTAKDWVVVDYGTRLFHSLMVLEKIIG
NSAFLLILKDKLTYDSYSPDTFLEMDLKQKSQDSLPQKNIIRLSAEPRYLVVYNPLEQDR
ISLVSVYVSSPTVQVFSASGKPVEVQVSAVWDTANTISETAYEISFRAHIPPLGLKVYKI
LESASSNSHLADYVLYKNKVEDSGIFTIKNMINTEEGITLENSFVLLRFDQTGLMKQMMT
KEDGKHHEVNVQFSWYGTTIKRDKSGAYLFLPDGNAKPYVYTTPPFVRVTHGRIYSEVTC
FFDHVTHRVRLYHIQGIEGQSVEVSNIVDIRKVYNREIAMKISSDIKSQNRFYTDLNGYQ
IQPRMTLSKLPLQANVYPMTTMAYIQDAKHRLTLLSAQSLGVSSLNSGQIEVIMDRRLMQ
DDNRGLEQGIQDNKITANLFRILLEKRSAVNTEEEKKSVSYPSLLSHITSSLMNHPVIPM
ANKFSSPTLELQGEFSPLQSSLPCDIHLVNLRTIQSKVGNGHSNEAALILHRKGFDCRFS
SKGTGLFCSTTQGKILVQKLLNKFIVESLTPSSLSLMHSPPGTQNISEINLSPMEISTFR
IQLR
PF09261
Alpha-mann_mid
PF01074
Glyco_hydro_38
PF07748
Glyco_hydro_38C
function
mannosidase activity
function
alpha-mannosidase activity
function
hydrolase activity
function
hydrolase activity, acting on glycosyl bonds
function
hydrolase activity, hydrolyzing O-glycosyl compounds
function
catalytic activity
process
metabolism
process
cellular metabolism
process
macromolecule metabolism
process
carbohydrate metabolism
process
alcohol metabolism
process
monosaccharide metabolism
process
hexose metabolism
process
physiological process
process
mannose metabolism
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object