Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02755"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"1-3 Sugar Ring of Pentamannosyl 6-Phosphate"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the trisaccharide phosphates. These are trisaccharides in which a carbohydrate moiety bears a phosphate group.
Trisaccharide Phosphates
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Trisaccharides
Trihexoses
O-glycosyl Compounds
Organophosphate Esters
Organic Phosphoric Acids
Oxanes
1,2-Diols
Hemiacetals
Secondary Alcohols
Primary Alcohols
Acetals
Polyamines
glycosyl compound
o-glycosyl compound
oxane
phosphoric acid ester
organic phosphate
secondary alcohol
polyol
hemiacetal
1,2-diol
primary alcohol
polyamine
ether
acetal
alcohol
logP
-2.4
ALOGPS
logS
-1.1
ALOGPS
Water Solubility
5.08e+01 g/l
ALOGPS
logP
-6.6
ChemAxon
IUPAC Name
{[(2S,3R,4R,5S,6R)-6-{[(2S,3S,4R,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2S,3S,4R,5S,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}phosphonic acid
ChemAxon
Traditional IUPAC Name
[(2S,3R,4R,5S,6R)-6-{[(2S,3S,4R,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2S,3S,4R,5S,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxyphosphonic acid
ChemAxon
Molecular Weight
584.417
ChemAxon
Monoisotopic Weight
584.135365386
ChemAxon
SMILES
OC[C@@H]1O[C@H](O)[C@@H](O)[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O[C@H]3O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O)[C@H]1O
ChemAxon
Molecular Formula
C18H33O19P
ChemAxon
InChI
InChI=1S/C18H33O19P/c19-1-4-8(22)14(12(26)16(28)33-4)36-18-13(27)15(9(23)5(2-20)34-18)37-17-11(25)10(24)7(21)6(35-17)3-32-38(29,30)31/h4-28H,1-3H2,(H2,29,30,31)/t4-,5-,6-,7-,8-,9-,10+,11-,12-,13-,14+,15+,16-,17+,18+/m0/s1
ChemAxon
InChIKey
InChIKey=HDQMHAJOIVYOIP-QPBMUXFQSA-N
ChemAxon
Polar Surface Area (PSA)
315.21
ChemAxon
Refractivity
111.62
ChemAxon
Polarizability
51.78
ChemAxon
Rotatable Bond Count
9
ChemAxon
H Bond Acceptor Count
18
ChemAxon
H Bond Donor Count
12
ChemAxon
pKa (strongest acidic)
1.22
ChemAxon
pKa (strongest basic)
-3.7
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
0
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
46936481
PubChem Substance
46504702
ChemSpider
2532782
PDB
P3M
BE0004494
Cation-dependent mannose-6-phosphate receptor
Human
# 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
# 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
Cation-dependent mannose-6-phosphate receptor
M6PR
Human
UniProtKB
P20645
UniProt Accession
MPRD_HUMAN
"
|
| 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