Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02749"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Pyromellitic Acid"
|
| rdf:type | |
| drugbank:description |
"
89-05-4
experimental
Anatoli Onopchenko, Johann G. D. Schulz, "PROCESS FOR PREPARING PYROMELLITIC ACID." U.S. Patent US4016206, issued October, 1962.
This compound belongs to the p-phthalic acid and derivatives. These are compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 4.
p-Phthalic Acid and Derivatives
Organic Compounds
Benzenoids
Benzene and Substituted Derivatives
Benzoic Acid and Derivatives
o-Phthalic Acid and Derivatives
m-Phthalic Acid and Derivatives
Benzoic Acids
Benzoyl Derivatives
Polyols
Carboxylic Acids
Enolates
Polyamines
benzoic acid
benzoyl
polyol
carboxylic acid
enolate
carboxylic acid derivative
polyamine
logP
0.8
ALOGPS
logS
-2.6
ALOGPS
Water Solubility
6.53e-01 g/l
ALOGPS
logP
0.6
ChemAxon
IUPAC Name
benzene-1,2,4,5-tetracarboxylic acid
ChemAxon
Traditional IUPAC Name
pyromellitic acid
ChemAxon
Molecular Weight
254.1498
ChemAxon
Monoisotopic Weight
254.006267168
ChemAxon
SMILES
OC(=O)C1=CC(C(O)=O)=C(C=C1C(O)=O)C(O)=O
ChemAxon
Molecular Formula
C10H6O8
ChemAxon
InChI
InChI=1S/C10H6O8/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18)
ChemAxon
InChIKey
InChIKey=CYIDZMCFTVVTJO-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
149.2
ChemAxon
Refractivity
55.08
ChemAxon
Polarizability
21.35
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
8
ChemAxon
H Bond Donor Count
4
ChemAxon
pKa (strongest acidic)
1.97
ChemAxon
Physiological Charge
-4
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
Water Solubility
1.4E+004 mg/L (at 16 °C)
YALKOWSKY,SH & DANNENFELSER,RM (1992)
Melting Point
276 °C
PhysProp
pKa
1.87 (at 25 °C)
KORTUM,G ET AL (1961)
PubChem Compound
6961
PubChem Substance
46506312
ChemSpider
6695
PDB
PMA
BE0001914
Fumarate hydratase class II
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
# 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
Fumarate hydratase class II
Energy production and conversion
(S)-malate = fumarate + H(2)O
fumC
Cytoplasm
None
6.57
50490.0
Escherichia coli (strain K12)
GenBank Gene Database
X04065
GenBank Protein Database
41513
UniProtKB
P05042
UniProt Accession
FUMC_ECOLI
EC 4.2.1.2
Fumarase C
>Fumarate hydratase class II
MNTVRSEKDSMGAIDVPADKLWGAQTQRSLEHFRISTEKMPTSLIHALALTKRAAAKVNE
DLGLLSEEKASAIRQAADEVLAGQHDDEFPLAIWQTGSGTQSNMNMNEVLANRASELLGG
VRGMERKVHPNDDVNKSQSSNDVFPTAMHVAALLALRKQLIPQLKTLTQTLNEKSRAFAD
IVKIGRTHLQDATPLTLGQEISGWVAMLEHNLKHIEYSLPHVAELALGGTAVGTGLNTHP
EYARRVADELAVITCAPFVTAPNKFEALATCDALVQAHGALKGLAASLMKIANDVRWLAS
GPRCGIGEISIPENEPGSSIMPGKVNPTQCEALTMLCCQVMGNDVAINMGGASGNFELNV
FRPMVIHNFLQSVRLLADGMESFNKHCAVGIEPNRERINQLLNESLMLVTALNTHIGYDK
AAEIAKKAHKEGLTLKAAALALGYLSEAEFDSWVRPEQMVGSMKAGR
>1404 bp
ATGAATACAGTACGCAGCGAAAAAGATTCGATGGGGGCGATTGATGTCCCGGCAGATAAG
CTGTGGGGCGCACAAACTCAACGCTCGCTGGAGCATTTCCGCATTTCGACGGAGAAAATG
CCCACCTCACTGATTCATGCGCTGGCGCTAACCAAGCGTGCAGCGGCAAAAGTTAATGAA
GATTTAGGCTTGTTGTCTGAAGAGAAAGCGAGCGCCATTCGTCAGGCGGCGGATGAAGTA
CTGGCAGGACAGCATGACGACGAATTCCCGCTGGCTATCTGGCAGACCGGCTCCGGCACG
CAAAGTAACATGAACATGAACGAAGTGCTGGCTAACCGGGCCAGTGAATTACTCGGCGGT
GTGCGCGGGATGGAACGTAAAGTTCACCCTAACGACGACGTGAACAAAAGCCAAAGTTCC
AACGATGTCTTTCCGACGGCGATGCACGTTGCGGCGCTGCTGGCGCTGCGCAAGCAACTC
ATTCCTCAGCTTAAAACCCTGACACAGACACTGAATGAGAAATCCCGTGCTTTTGCCGAT
ATCGTCAAAATTGGTCGTACTCACTTGCAGGATGCCACGCCGTTAACGCTGGGGCAGGAG
ATTTCCGGCTGGGTAGCGATGCTCGAGCATAATCTCAAACATATCGAATACAGCCTGCCT
CACGTAGCGGAACTGGCTCTTGGCGGTACAGCGGTGGGTACTGGACTAAATACCCATCCG
GAGTATGCGCGTCGCGTAGCAGATGAACTGGCAGTCATTACCTGTGCACCGTTTGTTACC
GCGCCGAACAAATTTGAAGCGCTGGCGACCTGTGATGCCCTGGTTCAGGCGCACGGCGCG
TTGAAAGGGTTGGCTGCGTCACTGATGAAAATCGCCAATGATGTCCGCTGGCTGGCCTCT
GGCCCGCGCTGCGGAATTGGTGAAATCTCAATCCCGGAAAATGAGCCGGGCAGCTCAATC
ATGCCGGGGAAAGTGAACCCAACACAGTGTGAGGCATTAACCATGCTCTGCTGTCAGGTG
ATGGGGAACGACGTGGCGATCAACATGGGGGGCGCTTCCGGTAACTTTGAACTGAACGTC
TTCCGTCCAATGGTGATCCACAATTTCCTGCAATCGGTGCGCTTGCTGGCAGATGGCATG
GAAAGTTTTAACAAACACTGCGCAGTGGGTATTGAACCGAATCGTGAGCGAATCAATCAA
TTACTCAATGAATCGCTGATGCTGGTGACTGCGCTTAACACCCACATTGGTTATGACAAA
GCCGCCGAGATCGCCAAAAAAGCGCATAAAGAAGGGCTGACCTTAAAAGCTGCGGCCCTT
GCGCTGGGGTATCTTAGCGAAGCCGAGTTTGACAGCTGGGTACGGCCAGAACAGATGGTC
GGCAGTATGAAAGCCGGGCGTTAA
PF00206
Lyase_1
component
tricarboxylic acid cycle enzyme complex
component
protein complex
function
fumarate hydratase activity
function
lyase activity
function
carbon-oxygen lyase activity
function
hydro-lyase activity
function
catalytic activity
process
metabolism
process
fumarate metabolism
process
cellular metabolism
process
generation of precursor metabolites and energy
process
energy derivation by oxidation of organic compounds
process
main pathways of carbohydrate metabolism
process
physiological process
process
tricarboxylic acid cycle intermediate metabolism
"
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| 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