Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB08321"

Predicate	Value (sorted: none)
rdfs:label	"(1S,2S,3R,6R)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol"
rdf:type	drugbank:drugs
drugbank: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 Secondary Alcohols 1,2-Diols Primary Alcohols Dialkylamines Polyamines secondary alcohol 1,2-diol polyol secondary amine primary alcohol secondary aliphatic amine polyamine amine organonitrogen compound logP 0.95 ALOGPS logS -1.4 ALOGPS Water Solubility 1.13e+01 g/l ALOGPS logP 0.4 ChemAxon IUPAC Name (1S,2S,3R,6R)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol ChemAxon Traditional IUPAC Name (1S,2S,3R,6R)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol ChemAxon Molecular Weight 287.3951 ChemAxon Monoisotopic Weight 287.209658421 ChemAxon SMILES [H][C@@]1(O)C(CO)=C[C@@]([H])(NCCCCCCCC)[C@]([H])(O)[C@@]1([H])O ChemAxon Molecular Formula C15H29NO4 ChemAxon InChI InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-16-12-9-11(10-17)13(18)15(20)14(12)19/h9,12-20H,2-8,10H2,1H3/t12-,13-,14+,15+/m1/s1 ChemAxon InChIKey InChIKey=UPZUHYMBTUUPML-KBXIAJHMSA-N ChemAxon Polar Surface Area (PSA) 92.95 ChemAxon Refractivity 78.94 ChemAxon Polarizability 33.42 ChemAxon Rotatable Bond Count 9 ChemAxon H Bond Acceptor Count 5 ChemAxon H Bond Donor Count 5 ChemAxon pKa (strongest acidic) 12.83 ChemAxon pKa (strongest basic) 8.47 ChemAxon Physiological Charge 1 ChemAxon Number of Rings 1 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 9817381 PubChem Substance 99444792 ChemSpider 7993131 PDB OEV 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 hydrolase activity, acting on glycosyl bonds function hydrolase activity, hydrolyzing O-glycosyl compounds function catalytic activity function mannosidase activity function alpha-mannosidase activity function hydrolase activity process macromolecule metabolism process carbohydrate metabolism process alcohol metabolism process monosaccharide metabolism process hexose metabolism process physiological process process mannose metabolism process metabolism process cellular metabolism "

All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt

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