Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03343"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Malate Like Intermediate"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
Secondary Alcohols
Organic Compounds
Organooxygen Compounds
Alcohols and Polyols
Secondary Alcohols
Polyamines
Enolates
Acetals
Carboxylic Acid Salts
Aldehydes
enolate
polyamine
acetal
carboxylic acid derivative
carboxylic acid salt
aldehyde
logP
-1
ALOGPS
logS
0.61
ALOGPS
Water Solubility
6.91e+02 g/l
ALOGPS
logP
-0.41
ChemAxon
IUPAC Name
(2R,3Z)-2,4-dihydroxy-4-oxidobut-3-enoate
ChemAxon
Traditional IUPAC Name
malate like intermediate
ChemAxon
Molecular Weight
132.0716
ChemAxon
Monoisotopic Weight
132.005873238
ChemAxon
SMILES
O[C@H](\C=C(/O)[O-])C([O-])=O
ChemAxon
Molecular Formula
C4H4O5
ChemAxon
InChI
InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h1-2,5-7H,(H,8,9)/p-2/t2-/m1/s1
ChemAxon
InChIKey
InChIKey=QFBHYOKSQPPXHZ-UWTATZPHSA-L
ChemAxon
Polar Surface Area (PSA)
103.65
ChemAxon
Refractivity
57.9
ChemAxon
Polarizability
10.01
ChemAxon
Rotatable Bond Count
2
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
3.1
ChemAxon
pKa (strongest basic)
-4
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
5289457
PubChem Substance
46505404
PDB
TEO
BE0002001
Fumarate reductase flavoprotein subunit
Shewanella frigidimarina
# 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
Fumarate reductase flavoprotein subunit
Energy production and conversion
Catalyzes fumarate reduction using artificial electron donors such as methyl viologen. The physiological reductant is unknown, but evidence indicates that flavocytochrome c participates in electron transfer from formate to fumarate and possibly also to trimethylamine oxide (TMAO). This enzyme is essentially unidirectional
fccA
Periplasm
None
6.51
60622.0
Shewanella frigidimarina
GenBank Gene Database
AJ132010
GenBank Protein Database
4539587
UniProtKB
P0C278
UniProt Accession
FRDA_SHEFR
EC 1.3.99.1
Fcc3
Flavocytochrome c
Flavocytochrome c3
>Fumarate reductase flavoprotein subunit
ADNLAEFHVQNQECDSCHTPDGELSNDSLTYENTQCVSCHGTLEEVAETTKHEHYNAHAS
HFPGEVACTSCHSAHEKSMVYCDSCHSFDFNMPYAKKWQRDEPTIAELAKDKSERQAALA
SAPHDTVDVVVVGSGGAGFSAAISATDSGAKVILIEKEPVIGGNAKLAAGGMNAAWTDQQ
KAKKITDSPELMFEDTMKGGQNINDPALVKVLSSHSKDSVDWMTAMGADLTDVGMMGGAS
VNRAHRPTGGAGVGAHVVQVLYDNAVKRNIDLRMNTRGIEVLKDDKGTVKGILVKGMYKG
YYWVKADAVILATGGFAKNNERVAKLDPSLKGFISTNQPGAVGDGLDVAENAGGALKDMQ
YIQAHPTLSVKGGVMVTEAVRGNGAILVNREGKRFVNEITTRDKASAAILAQTGKSAYLI
FDDSVRKSLSKIDKYIGLGVAPTADSLVKLGKMEGIDGKALTETVARYNSLVSSGKDTDF
ERPNLPRALNEGNYYAIEVTPGVHHTMGGVMIDTKAEVMNAKKQVIPGLYGAGEVTGGVH
GANRLGGNAISDIITFGRLAGEEAAKYSKKN
>1683 bp
AACCAAGAATGTGATAGCTGCCATACACCAGATGGTGAACTGTCAAATGACAGCTTAACT
TATGAAAATACACAATGTGTATCTTGCCATGGCACACTAGAGGAAGTCGCTGAAACGACA
AAACATGAACACTATAATGCTCATGCTTCTCATTTCCCTGGCGAAGTAGCTTGTACCTCA
TGCCACAGCGCACACGAAAAATCGATGGTGTATTGTGACTCTTGCCATAGCTTCGATTTC
AACATGCCTTATGCTAAAAAATGGCAACGTGACGAGCCTACTATTGCTGAACTGGCCAAA
GATAAATCAGAACGTCAGGCTGCTCTTGCTAGCGCACCTCACGATACTGTTGACGTAGTG
GTTGTCGGTTCTGGCGGCGCAGGTTTCTCAGCAGCAATATCTGCAACAGACAGTGGTGCT
AAAGTCATTCTTATTGAAAAAGAGCCTGTTATTGGTGGTAATGCTAAGTTAGCTGCGGGT
GGCATGAACGCTGCTTGGACTGATCAACAAAAAGCCAAAAAAATTACTGACAGCCCAGAG
TTAATGTTCGAAGACACCATGAAAGGTGGCCAAAACATAAATGATCCTGCATTAGTTAAA
GTATTAAGCTCACACTCTAAAGACTCTGTTGATTGGATGACCGCTATGGGTGCCGATTTA
ACTGATGTTGGCATGATGGGTGGCGCATCTGTTAATCGTGCGCATCGTCCAACCGGTGGT
GCTGGTGTAGGTGCTCATGTTGTTCAAGTACTTTATGATAATGCAGTGAAACGCAATATC
GACTTACGCATGAACACTCGCGGCATTGAAGTGCTTAAAGATGATAAAGGCACTGTTAAA
GGTATTCTGGTTAAGGGTATGTATAAAGGTTACTACTGGGTGAAAGCCGATGCGGTAATC
TTAGCAACGGGTGGTTTCGCTAAAAATAACGAGCGTGTCGCTAAGCTTGATCCTTCACTA
AAAGGCTTTATCTCTACTAACCAACCTGGTGCAGTAGGTGATGGACTGGATGTAGCGGAA
AATGCGGGCGGCGCATTGAAAGACATGCAGTATATCCAAGCTCACCCAACACTATCTGTT
AAAGGTGGCGTAATGGTCACTGAAGCGGTTCGTGGTAATGGTGCGATTTTGGTTAACCGT
GAAGGTAAGCGTTTCGTTAACGAAATTACTACTCGTGATAAAGCATCTGCCGCTATCTTA
GCGCAAACCGGTAAATCAGCTTATTTGATTTTTGATGATTCTGTGCGTAAGTCACTGTCA
AAAATTGATAAGTATATTGGTTTAGGTGTTGCACCAACCGCAGATAGCCTAGTTAAATTA
GGTAAAATGGAAGGTATTGACGGCAAAGCATTGACTGAAACTGTCGCGCGTTACAACAGC
TTAGTGAGTAGCGGTAAAGACACTGATTTTGAGCGTCCAAACCTACCGCGCGCACTTAAC
GAAGGTAACTACTATGCAATTGAAGTTACACCTGGTGTTCACCACACTATGGGTGGCGTG
ATGATCGACACTAAAGCTGAAGTCATGAATGCTAAGAAGCAGGTTATCCCTGGCTTGTAT
GGTGCTGGTGAGGTTACTGGCGGTGTTCATGGTGCTAACCGCTTAGGTGGTAATGCTATT
TCAGACATCATCACCTTCGGTCGCTTAGCGGGTGAAGAAGCTGCAAAATATTCTAAAAAG
AAC
PF00890
FAD_binding_2
function
oxidoreductase activity, acting on the CH-CH group of donors
function
succinate dehydrogenase activity
function
catalytic activity
function
oxidoreductase activity
process
electron transport
process
physiological process
process
metabolism
process
cellular metabolism
process
generation of precursor metabolites and energy
"
|
| 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