Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB08283"
| Predicate | Value (sorted: none) |
|---|---|
| drugbank:description |
"
experimental
This compound belongs to the piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.
Piperidines
Organic Compounds
Heterocyclic Compounds
Piperidines
Tertiary Amines
Secondary Alcohols
1,2-Diols
Polyamines
Primary Alcohols
polyol
1,2-diol
secondary alcohol
tertiary amine
primary alcohol
polyamine
amine
alcohol
organonitrogen compound
logP
1.3
ALOGPS
logS
-1.5
ALOGPS
Water Solubility
9.58e+00 g/l
ALOGPS
logP
1.04
ChemAxon
IUPAC Name
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol
ChemAxon
Traditional IUPAC Name
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol
ChemAxon
Molecular Weight
289.4109
ChemAxon
Monoisotopic Weight
289.225308485
ChemAxon
SMILES
[H][C@]1(O)CN(CCCCCCCCC)[C@]([H])(CO)[C@@]([H])(O)[C@]1([H])O
ChemAxon
Molecular Formula
C15H31NO4
ChemAxon
InChI
InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1
ChemAxon
InChIKey
InChIKey=FTSCEGKYKXESFF-LXTVHRRPSA-N
ChemAxon
Polar Surface Area (PSA)
84.16
ChemAxon
Refractivity
78.75
ChemAxon
Polarizability
34.57
ChemAxon
Rotatable Bond Count
9
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
4
ChemAxon
pKa (strongest acidic)
12.9
ChemAxon
pKa (strongest basic)
8.37
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
501640
PubChem Substance
99444754
ChemSpider
438794
PDB
NND
BE0000978
Glucosylceramidase
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
Glucosylceramidase
Involved in glucosylceramidase activity
D-glucosyl-N-acylsphingosine + H(2)O = D- glucose + N-acylsphingosine
GBA
1q21
Lysosome; lysosomal membrane; peripheral membrane protein; lumenal side. Note=Interaction with sapon
None
7.66
59717.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:4177
GenAtlas
GBA
GeneCards
GBA
GenBank Gene Database
M16328
GenBank Protein Database
183008
UniProtKB
P04062
UniProt Accession
GLCM_HUMAN
Acid beta-glucosidase
Alglucerase
Beta-glucocerebrosidase
D-glucosyl-N-acylsphingosine glucohydrolase
EC 3.2.1.45
Glucosylceramidase precursor
Imiglucerase
>Glucosylceramidase precursor
MEFSSPSREECPKPLSRVSIMAGSLTGLLLLQAVSWASGARPCIPKSFGYSSVVCVCNAT
YCDSFDPPTFPALGTFSRYESTRSGRRMELSMGPIQANHTGTGLLLTLQPEQKFQKVKGF
GGAMTDAAALNILALSPPAQNLLLKSYFSEEGIGYNIIRVPMASCDFSIRTYTYADTPDD
FQLHNFSLPEEDTKLKIPLIHRALQLAQRPVSLLASPWTSPTWLKTNGAVNGKGSLKGQP
GDIYHQTWARYFVKFLDAYAEHKLQFWAVTAENEPSAGLLSGYPFQCLGFTPEHQRDFIA
RDLGPTLANSTHHNVRLLMLDDQRLLLPHWAKVVLTDPEAAKYVHGIAVHWYLDFLAPAK
ATLGETHRLFPNTMLFASEACVGSKFWEQSVRLGSWDRGMQYSHSIITNLLYHVVGWTDW
NLALNPEGGPNWVRNFVDSPIIVDITKDTFYKQPMFYHLGHFSKFIPEGSQRVGLVASQK
NDLDAVALMHPDGSAVVVVLNRSSKDVPLTIKDPAVGFLETISPGYSIHTYLWRRQ
>1551 bp
ATGGCTGGCAGCCTCACAGGTTTGCTTCTACTTCAGGCAGTGTCGTGGGCATCAGGTGCC
CGCCCCTGCATCCCTAAAAGCTTCGGCTACAGCTCGGTGGTGTGTGTCTGCAATGCCACA
TACTGTGACTCCTTTGACCCCCCGACCTTTCCTGCCCTTGGTACCTTCAGCCGCTATGAG
AGTACACGCAGTGGGCGACGGATGGAGCTGAGTATGGGGCCCATCCAGGCTAATCACACG
GGCACAGGCCTGCTACTGACCCTGCAGCCAGAACAGAAGTTCCAGAAAGTGAAGGGATTT
GGAGGGGCCATGACAGATGCTGCTGCTCTCAACATCCTTGCCCTGTCACCCCCTGCCCAA
AATTTGCTACTTAAATCGTACTTCTCTGAAGAAGGAATCGGATATAACATCATCCGGGTA
CCCATGGCCAGCTGTGACTTCTCCATCCGCACCTACACCTATGCAGACACCCCTGATGAT
TTCCAGTTGCACAACTTCAGCCTCCCAGAGGAAGATACCAAGCTCAAGATACCCCTGATT
CACCGAGCCCTGCAGTTGGCCCAGCGTCCCGTTTCACTCCTTGCCAGCCCCTGGACATCA
CCCACTTGGCTCAAGACCAATGGAGCGGTGAATGGGAAGGGGTCACTCAAGGGACAGCCC
GGAGACATCTACCACCAGACCTGGGCCAGATACTTTGTGAAGTTCCTGGATGCCTATGCT
GAGCACAAGTTACAGTTCTGGGCAGTGACAGCTGAAAATGAGCCTTCTGCTGGGCTGTTG
AGTGGATACCCCTTCCAGTGCCTGGGCTTCACCCCTGAACATCAGCGAGACTTCATTGCC
CGTGACCTAGGTCCTACCCTCGCCAACAGTACTCACCACAATGTCCGCCTACTCATGCTG
GATGACCAACGCTTGCTGCTGCCCCACTGGGCAAAGGTGGTACTGACAGACCCAGAAGCA
GCTAAATATGTTCATGGCATTGCTGTACATTGGTACCTGGACTTTCTGGCTCCAGCCAAA
GCCACCCTAGGGGAGACACACCGCCTGTTCCCCAACACCATGCTCTTTGCCTCAGAGGCC
TGTGTGGGCTCCAAGTTCTGGGAGCAGAGTGTGCGGCTAGGCTCCTGGGATCGAGGGATG
CAGTACAGCCACAGCATCATCACGAACCTCCTGTACCATGTGGTCGGCTGGACCGACTGG
AACCTTGCCCTGAACCCCGAAGGAGGACCCAATTGGGTGCGTAACTTTGTCGACAGTCCC
ATCATTGTAGACATCACCAAGGACACGTTTTACAAACAGCCCATGTTCTACCACCTTGGC
CACTTCAGCAAGTTCATTCCTGAGGGCTCCCAGAGAGTGGGGCTGGTTGCCAGTCAGAAG
AACGACCTGGACGCAGTGGCACTGATGCATCCCGATGGCTCTGCTGTTGTGGTCGTGCTA
AACCGCTCCTCTAAGGATGTGCCTCTTACCATCAAGGATCCTGCTGTGGGCTTCCTGGAG
ACAATCTCACCTGGCTACTCCATTCACACCTACCTGTGGCATCGCCAGTGA
PF02055
Glyco_hydro_30
component
organelle
component
membrane-bound organelle
component
intracellular membrane-bound organelle
component
vacuole
component
lytic vacuole
component
lysosome
function
hydrolase activity, acting on glycosyl bonds
function
catalytic activity
function
hydrolase activity, hydrolyzing O-glycosyl compounds
function
hydrolase activity
function
glucosylceramidase activity
process
vacuole organization and biogenesis
process
lysosome organization and biogenesis
process
sphingolipid metabolism
process
organelle organization and biogenesis
process
primary metabolism
process
physiological process
process
lipid metabolism
process
cellular physiological process
process
cellular lipid metabolism
process
cell organization and biogenesis
process
metabolism
process
membrane lipid metabolism
"
|
| rdf:type | |
| rdfs:label |
"(2R,3R,4R,5S)-2-(HYDROXYMETHYL)-1-NONYLPIPERIDINE-3,4,5-TRIOL"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object