Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02512"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"1,6-Fructose Diphosphate (Linear Form)"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the organophosphate esters. These are organic compounds containing phosphoric acid ester functional group.
Organophosphate Esters
Organic Compounds
Organophosphorus Compounds
Organic Phosphoric Acids and Derivatives
Organophosphate Esters
Acyloins
Organic Phosphoric Acids
Ketones
1,2-Diols
Secondary Alcohols
Polyamines
Enolates
Aldehydes
1,2-diol
ketone
polyol
secondary alcohol
enolate
polyamine
alcohol
carbonyl group
aldehyde
logP
-1.6
ALOGPS
logS
-1.4
ALOGPS
Water Solubility
1.36e+01 g/l
ALOGPS
logP
-3.5
ChemAxon
IUPAC Name
{[(3S,4S,5R)-3,4,5-trihydroxy-2-oxo-6-(phosphonooxy)hexyl]oxy}phosphonic acid
ChemAxon
Traditional IUPAC Name
[(3S,4S,5R)-3,4,5-trihydroxy-2-oxo-6-(phosphonooxy)hexyl]oxyphosphonic acid
ChemAxon
Molecular Weight
340.1157
ChemAxon
Monoisotopic Weight
339.996048936
ChemAxon
SMILES
O[C@H](COP(O)(O)=O)[C@H](O)[C@H](O)C(=O)COP(O)(O)=O
ChemAxon
Molecular Formula
C6H14O12P2
ChemAxon
InChI
InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,5+,6-/m1/s1
ChemAxon
InChIKey
InChIKey=XPYBSIWDXQFNMH-PQLUHFTBSA-N
ChemAxon
Polar Surface Area (PSA)
211.28
ChemAxon
Refractivity
59.31
ChemAxon
Polarizability
25.23
ChemAxon
Rotatable Bond Count
9
ChemAxon
H Bond Acceptor Count
10
ChemAxon
H Bond Donor Count
7
ChemAxon
pKa (strongest acidic)
1.01
ChemAxon
pKa (strongest basic)
-3.5
ChemAxon
Physiological Charge
-4
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
0
ChemAxon
PubChem Compound
189150
PubChem Substance
46507105
ChemSpider
2530463
PDB
2FP
BE0001683
Fructose-bisphosphate aldolase A
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
Fructose-bisphosphate aldolase A
Carbohydrate transport and metabolism
D-fructose 1,6-bisphosphate = glycerone phosphate + D-glyceraldehyde 3-phosphate
ALDOA
16q22-q24
None
8.2
39420.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:414
GenAtlas
ALDOA
GeneCards
ALDOA
GenBank Gene Database
M11560
GenBank Protein Database
178351
UniProtKB
P04075
UniProt Accession
ALDOA_HUMAN
EC 4.1.2.13
Lung cancer antigen NY-LU-1
Muscle-type aldolase
>Fructose-bisphosphate aldolase A
MPYQYPALTPEQKKELSDIAHRIVAPGKGILAADESTGSIAKRLQSIGTENTEENRRFYR
QLLLTADDRVNPCIGGVILFHETLYQKADDGRPFPQVIKSKGGVVGIKVDKGVVPLAGTN
GETTTQGLDGLSERCAQYKKDGADFAKWRCVLKIGEHTPSALAIMENANVLARYASICQQ
NGIVPIVEPEILPDGDHDLKRCQYVTEKVLAAVYKALSDHHIYLEGTLLKPNMVTPGHAC
TQKFSHEEIAMATVTALRRTVPPAVTGITFLSGGQSEEEASINLNAINKCPLLKPWALTF
SYGRALQASALKAWGGKKENLKAAQEEYVKRALANSLACQGKYTPSGQAGAAASESLFVS
NHAY
>1095 bp
ATGCCCTACCAATATCCAGCACTGACCCCGGAGCAGAAGAAGGAGCTGTCTGACATCGCT
CACCGCATCGTGGCACCTGGCAAGGGCATCCTGGCTGCAGATGAGTCCACTGGGAGCATT
GCCAAGCGGCTGCAGTCCATTGGCACCGAGAACACCGAGGAGAACCGGCGCTTCTACCGC
CAGCTGCTGCTGACAGCTGACGACCGCGTGAACCCCTGCATTGGGGGTGTCATCCTCTTC
CATGAGACACTCTACCAGAAGGCGGATGATGGGCGTCCCTTCCCCCAAGTTATCAAATCC
AAGGGCGGTGTTGTGGGCATCAAGGTAGACAAGGGCGTGGTCCCCCTGGCAGGGACAAAT
GGCGAGACTACCACCCAAGGGTTGGATGGGCTGTCTGAGCGCTGTGCCCAGTACAAGAAG
GACGGAGCTGACTTCGCCAAGTGGCGTTGTGTGCTGAAGATTGGGGAACACACCCCCTCA
GCCCTCGCCATCATGGAAAATGCCAATGTTCTGGCCCGTTATGCCAGTATCTGCCAGCAG
AATGGCATTGTGCCCATCGTGGAGCCTGAGATCCTCCCTGATGGGGACCATGACTTGAAG
CGCTGCCAGTATGTGACCGAGAAGGTGCTGGCTGCTGTCTACAAGGCTCTGAGTGACCAC
CACATCTACCTGGAAGGCACCTTGCTGAAGCCCAACATGGTCACCCCAGGCCATGCTTGC
ACTCAGAAGTTTTCTCATGAGGAGATTGCCATGGCGACCGTCACAGCGCTGCGCCGCACA
GTGCCCCCCGCTGTCACTGGGATCACCTTCCTGTCTGGAGGCCAGAGTGAGGAGGAGGCG
TCCATCAACCTCAATGCCATTAACAAGTGCCCCCTGCTGAAGCCCTGGGCCCTGACCTTC
TCCTACGGCCGAGCCCTGCAGGCCTCTGCCCTGAAGGCCTGGGGCGGGAAGAAGGAGAAC
CTGAAGGCTGCGCAGGAGGAGTATGTCAAGCGAGCCCTGGCCAACAGCCTTGCCTGTCAA
GGAAAGTACACTCCGAGCGGTCAGGCTGGGGCTGCTGCCAGCGAGTCCCTCTTCGTCTCT
AACCACGCCTATTAA
PF00274
Glycolytic
function
carbon-carbon lyase activity
function
catalytic activity
function
aldehyde-lyase activity
function
fructose-bisphosphate aldolase activity
function
lyase activity
process
alcohol metabolism
process
monosaccharide metabolism
process
hexose metabolism
process
glucose metabolism
process
glucose catabolism
process
physiological process
process
glycolysis
process
metabolism
process
cellular metabolism
BE0004565
Fructose-bisphosphate aldolase B
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
Fructose-bisphosphate aldolase B
ALDOB
Human
UniProtKB
P05062
UniProt Accession
ALDOB_HUMAN
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object