Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03564"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(4r)-2-Methylpentane-2,4-Diol"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).
Tertiary Alcohols
Organic Compounds
Organooxygen Compounds
Alcohols and Polyols
Tertiary Alcohols
Secondary Alcohols
Polyamines
secondary alcohol
polyamine
logP
0.34
ALOGPS
logS
0.14
ALOGPS
Water Solubility
1.62e+02 g/l
ALOGPS
logP
-0.035
ChemAxon
IUPAC Name
(4S)-2-methylpentane-2,4-diol
ChemAxon
Traditional IUPAC Name
2-methyl-2,4-pentanediol
ChemAxon
Molecular Weight
118.1742
ChemAxon
Monoisotopic Weight
118.099379692
ChemAxon
SMILES
C[C@H](O)CC(C)(C)O
ChemAxon
Molecular Formula
C6H14O2
ChemAxon
InChI
InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1
ChemAxon
InChIKey
InChIKey=SVTBMSDMJJWYQN-YFKPBYRVSA-N
ChemAxon
Polar Surface Area (PSA)
40.46
ChemAxon
Refractivity
32.89
ChemAxon
Polarizability
13.54
ChemAxon
Rotatable Bond Count
2
ChemAxon
H Bond Acceptor Count
2
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
15.12
ChemAxon
pKa (strongest basic)
-2.5
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
5288834
PubChem Substance
46507494
PDB
MRD
BE0003131
1-pyrroline-5-carboxylate dehydrogenase
Thermus thermophilus
unknown
1-pyrroline-5-carboxylate dehydrogenase
Involved in 1-pyrroline-5-carboxylate dehydrogenase activity
None
5.51
57046.0
Thermus thermophilus
UniProtKB
P83849
UniProt Accession
P83849_THETH
>1-pyrroline-5-carboxylate dehydrogenase
MTVEPFRNEPIETFQTEEARRAMREALRRVREEFGRHYPLYIGGEWVDTKERMVSLNPSA
PSEVVGTTAKAGKAEAEAALEAAWKAFKTWKDWPQEDRSRLLLKAAALMRRRKRELEATL
VYEVGKNWVEASADVAEAIDFIEYYARAALRYRYPAVEVVPYPGEDNESFYVPLGAGVVI
APWNFPVAIFTGMIVGPVAVGNTVIAKPAEDAVVVGAKVFEIFHEAGFPPGVVNFLPGVG
EEVGAYLVEHPRIRFINFTGSLEVGLKIYEAAGRLAPGQTWFKRAYVETGGKNAIIVDET
ADFDLAAEGVVVSAYGFQGQKCSAASRLILTQGAYEPVLERVLKRAERLSVGPAEENPDL
GPVVSAEQERKVLSYIEIGKNEGQLVLGGKRLEGEGYFIAPTVFTEVPPKARIAQEEIFG
PVLSVIRVKDFAEALEVANDTPYGLTGGVYSRKREHLEWARREFHVGNLYFNRKITGALV
GVQPFGGFKLSGTNAKTGALDYLRLFLEMKAVAERF
PF00171
Aldedh
function
1-pyrroline-5-carboxylate dehydrogenase activity
function
oxidoreductase activity
function
oxidoreductase activity, acting on the CH-NH group of donors
function
oxidoreductase activity, acting on the CH-NH group of donors, NAD or NADP as acceptor
function
catalytic activity
process
metabolism
process
cellular metabolism
process
amino acid metabolism
process
amino acid and derivative metabolism
process
glutamine family amino acid metabolism
process
proline metabolism
process
physiological process
process
proline biosynthesis
BE0001225
Xylose isomerase
Streptomyces rubiginosus
# 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
Xylose isomerase
Carbohydrate transport and metabolism
Involved in D-xylose catabolism
xylA
Cytoplasm
None
4.78
43228.0
Streptomyces rubiginosus
GenBank Gene Database
M73789
GenBank Protein Database
153534
UniProtKB
P24300
UniProt Accession
XYLA_STRRU
EC 5.3.1.5
>Xylose isomerase
MNYQPTPEDRFTFGLWTVGWQGRDPFGDATRRALDPVESVRRLAELGAHGVTFHDDDLIP
FGSSDSEREEHVKRFRQALDDTGMKVPMATTNLFTHPVFKDGGFTANDRDVRRYALRKTI
RNIDLAVELGAETYVAWGGREGAESGGAKDVRDALDRMKEAFDLLGEYVTSQGYDIRFAI
EPKPNEPRGDILLPTVGHALAFIERLERPELYGVNPEVGHEQMAGLNFPHGIAQALWAGK
LFHIDLNGQNGIKYDQDLRFGAGDLRAAFWLVDLLESAGYSGPRHFDFKPPRTEDFDGVW
ASAAGCMRNYLILKERAAAFRADPEVQEALRASRLDELARPTAADGLQALLDDRSAFEEF
DVDAAAARGMAFERLDQLAMDHLLGARG
>1167 bp
ATGAACTACCAGCCCACCCCCGAGGACAGGTTCACCTTCGGACTGTGGACCGTCGGCTGG
CAGGGACGGGACCCCTTCGGTGACGCCACGCGGCGCGCCCTCGACCCGGTCGAGTCGGTG
CGGCGGCTGGCCGAGCTGGGCGCCCACGGCGTCACGTTCCACGACGACGACCTCATCCCC
TTCGGCTCCAGCGACAGCGAGCGCGAGGAGCACGTCAAGCGGTTCCGGCAGGCGCTGGAC
GACACCGGCATGAAGGTGCCGATGGCCACCACCAACCTGTTCACCCACCCGGTGTTCAAG
GACGGCGGCTTCACCGCCAACGACCGCGACGTGCGCCGCTACGCCCTGCGCAAGACCATC
CGCAACATCGACCTCGCGGTCGAGCTCGGCGCCGAGACCTATGTGGCCTGGGGCGGCCGC
GAGGGTGCCGAGTCGGGTGGCGCCAAGGACGTGCGGGACGCCCTCGACCGCATGAAGGAG
GCCTTCGACCTGCTCGGCGAGTACGTCACCTCCCAGGGCTACGACATCCGCTTCGCCATC
GAGCCCAAGCCGAACGAGCCGCGCGGCGACATCCTGCTCCCCACCGTCGGCCACGCCCTG
GCGTTCATCGAGCGCCTGGAGCGACCGGAGCTGTACGGCGTGAACCCCGAGGTCGGCCAC
GAGCAGATGGCCGGGCTGAACTTCCCGCACGGCATCGCGCAGGCGCTGTGGGCGGGCAAG
CTGTTCCACATCGACCTCAACGGCCAGAACGGCATCAAGTACGACCAGGACCTCCGCTTC
GGCGCGGGCGACCTGCGGGCCGCGTTCTGGCTGGTGGACCTGCTGGAGTCGGCCGGCTAC
AGCGGCCCGCGGCACTTCGACTTCAAGCCGCCGCGGACCGAGGACTTCGACGGGGTGTGG
GCCTCGGCGGCCGGCTGCATGCGCAACTACCTGATCCTCAAGGAGCGTGCGGCGGCCTTC
CGCGCCGACCCCGAGGTGCAGGAGGCGCTGCGCGCGTCCCGTCTGGACGAGCTGGCCCGG
CCCACGGCGGCCGACGGTCTGCAGGCCCTGCTCGACGACCGGTCCGCCTTCGAGGAGTTC
GACGTCGACGCGGCGGCGGCCCGTGGGATGGCCTTCGAGCGCCTGGACCAGCTGGCGATG
GACCACCTGCTGGGCGCCCGGGGCTGA
PF01261
AP_endonuc_2
function
isomerase activity
function
intramolecular oxidoreductase activity
function
intramolecular oxidoreductase activity, interconverting aldoses and ketoses
function
xylose isomerase activity
function
catalytic activity
process
metabolism
process
macromolecule metabolism
process
carbohydrate metabolism
process
physiological process
"
|
| 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