Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02430"
| Predicate | Value (sorted: none) |
|---|---|
| rdfs:label |
"Trehalose-6-Phosphate"
|
| owl:sameAs | |
| rdf:type | |
| drugbank:description |
"
4484-88-2
experimental
This compound belongs to the disaccharide phosphates. These are disaccharides in which a carbohydrate moiety bears a phosphate group.
Disaccharide Phosphates
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Disaccharides
Dihexoses
O-glycosyl Compounds
Organophosphate Esters
Oxanes
Organic Phosphoric Acids
Secondary Alcohols
1,2-Diols
Primary Alcohols
Acetals
Polyamines
o-glycosyl compound
glycosyl compound
oxane
phosphoric acid ester
organic phosphate
secondary alcohol
polyol
1,2-diol
primary alcohol
polyamine
ether
acetal
alcohol
logP
-2.4
ALOGPS
logS
-1
ALOGPS
Water Solubility
4.06e+01 g/l
ALOGPS
logP
-4.8
ChemAxon
IUPAC Name
{[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methoxy}phosphonic acid
ChemAxon
Traditional IUPAC Name
[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methoxyphosphonic acid
ChemAxon
Molecular Weight
422.2764
ChemAxon
Monoisotopic Weight
422.082541956
ChemAxon
SMILES
OC[C@@H]1O[C@H](O[C@H]2O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O
ChemAxon
Molecular Formula
C12H23O14P
ChemAxon
InChI
InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11+,12+/m0/s1
ChemAxon
InChIKey
InChIKey=LABSPYBHMPDTEL-JGZVXCDNSA-N
ChemAxon
Polar Surface Area (PSA)
236.06
ChemAxon
Refractivity
79.21
ChemAxon
Polarizability
36.07
ChemAxon
Rotatable Bond Count
6
ChemAxon
H Bond Acceptor Count
13
ChemAxon
H Bond Donor Count
9
ChemAxon
pKa (strongest acidic)
1.22
ChemAxon
pKa (strongest basic)
-3.6
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
0
ChemAxon
ChEBI
18283
PubChem Compound
46936379
PubChem Substance
46506650
KEGG Compound
C00689
ChemSpider
1112
PDB
T6P
BE0001867
HTH-type transcriptional regulator TreR
Escherichia coli (strain K12)
# 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
unknown
HTH-type transcriptional regulator TreR
Transcription
Repressor of the treBC operon. Binds trehalose 6- phosphate as an inducer
treR
Cytoplasmic
None
8.32
34531.0
Escherichia coli (strain K12)
GenBank Gene Database
U14003
GenBank Protein Database
537083
UniProtKB
P36673
UniProt Accession
TRER_ECOLI
Trehalose operon repressor
>HTH-type transcriptional regulator treR
MQNRLTIKDIARLSGVGKSTVSRVLNNESGVSQLTRERVEAVMNQHGFSPSRSARAMRGQ
SDKVVAIIVTRLDSLSENLAVQTMLPAFYEQGYDPIMMESQFSPQLVAEHLGVLKRRNID
GVVLFGFTGITEEMLAHWQSSLVLLARDAKGFASVCYDDEGAIKILMQRLYDQGHRNISY
LGVPHSDVTTGKRRHEAYLAFCKAHKLHPVAALPGLAMKQGYENVAKVITPETTALLCAT
DTLALGASKYLQEQRIDTLQLASVGNTPLMKFLHPEIVTVDPGYAEAGRQAACQLIAQVT
GRSEPQQIIIPATLS
>948 bp
ATGCAAAATCGGCTGACCATCAAAGATATCGCGCGCTTAAGCGGCGTGGGGAAATCTACA
GTTTCCCGGGTGCTGAATAACGAAAGCGGCGTGAGCCAGCTCACCCGCGAGCGTGTTGAA
GCAGTGATGAATCAGCATGGATTTTCCCCTTCCCGCTCTGCGCGCGCTATGCGTGGGCAA
AGCGATAAAGTGGTCGCCATCATTGTTACCCGTCTGGATTCGTTGTCAGAAAATCTCGCC
GTTCAAACCATGCTGCCAGCGTTCTATGAACAAGGTTACGACCCAATCATGATGGAAAGT
CAGTTTTCCCCGCAATTAGTTGCCGAACATTTGGGAGTGCTGAAACGGCGTAATATCGAC
GGCGTAGTGCTGTTCGGTTTTACTGGCATAACAGAAGAAATGTTAGCCCACTGGCAGTCA
TCGCTGGTTCTGCTGGCGCGTGACGCAAAAGGCTTTGCTTCGGTCTGTTATGACGACGAA
GGGGCAATCAAAATCCTGATGCAACGGCTGTATGACCAGGGGCATCGTAATATCAGTTAT
CTCGGCGTGCCGCACAGTGACGTGACAACCGGTAAGCGACGTCACGAAGCCTACCTGGCG
TTCTGCAAAGCGCATAAACTGCATCCCGTTGCCGCCCTGCCAGGGCTTGCTATGAAGCAA
GGCTATGAGAACGTTGCAAAAGTGATTACGCCTGAAACTACCGCCTTACTGTGCGCAACC
GACACGCTGGCACTTGGCGCAAGTAAATACCTGCAAGAGCAACGCATCGACACCTTGCAA
CTGGCGAGCGTCGGTAATACGCCGTTAATGAAATTCCTCCATCCGGAGATCGTAACCGTA
GATCCCGGTTACGCCGAAGCTGGACGCCAGGCGGCTTGCCAGTTGATCGCGCAGGTAACC
GGGCGCAGCGAACCGCAACAAATCATCATCCCCGCCACCCTGTCCTGA
PF00356
LacI
PF00532
Peripla_BP_1
component
intracellular
component
cell
function
nucleic acid binding
function
transcription factor activity
function
DNA binding
function
binding
process
regulation of biological process
process
regulation of physiological process
process
regulation of metabolism
process
regulation of cellular metabolism
process
regulation of nucleobase, nucleoside, nucleotide and nucleic acid metabolism
process
regulation of transcription
process
regulation of transcription, DNA-dependent
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object