Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB07979"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(2E)-3-(3,4-DIHYDROXYPHENYL)-2-IMINOPROPANOIC ACID"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.
Phenylpropanoic Acids
Organic Compounds
Phenylpropanoids and Polyketides
Phenylpropanoic Acids
Alpha Amino Acids and Derivatives
Catechols
Polyols
Enols
Enolates
Carboxylic Acids
Polyamines
Imines
1,2-diphenol
phenol derivative
benzene
polyol
carboxylic acid derivative
polyamine
carboxylic acid
enolate
enol
imine
organonitrogen compound
logP
0.69
ALOGPS
logS
-2.6
ALOGPS
Water Solubility
5.33e-01 g/l
ALOGPS
logP
0.82
ChemAxon
IUPAC Name
3-(3,4-dihydroxyphenyl)-2-iminopropanoic acid
ChemAxon
Traditional IUPAC Name
3-(3,4-dihydroxyphenyl)-2-iminopropanoic acid
ChemAxon
Molecular Weight
195.1721
ChemAxon
Monoisotopic Weight
195.053157781
ChemAxon
SMILES
OC(=O)C(=N)CC1=CC(O)=C(O)C=C1
ChemAxon
Molecular Formula
C9H9NO4
ChemAxon
InChI
InChI=1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,10-12H,3H2,(H,13,14)
ChemAxon
InChIKey
InChIKey=VFINRVRRNHRWEQ-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
101.61
ChemAxon
Refractivity
59.15
ChemAxon
Polarizability
18.15
ChemAxon
Rotatable Bond Count
3
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
4
ChemAxon
pKa (strongest acidic)
3.62
ChemAxon
pKa (strongest basic)
2.6
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
46937113
PubChem Substance
99444450
PDB
IM3
BE0004141
D-amino-acid oxidase
Human
# 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
D-amino-acid oxidase
Amino acid transport and metabolism
Regulates the level of the neuromodulator D-serine in the brain. Has high activity towards D-DOPA and contributes to dopamine synthesis. Could act as a detoxifying agent which removes D-amino acids accumulated during aging. Acts on a variety of D- amino acids with a preference for those having small hydrophobic side chains followed by those bearing polar, aromatic, and basic groups. Does not act on acidic amino acids
DAO
12q24
Peroxisome
None
6.84
39473.7
Human
HUGO Gene Nomenclature Committee (HGNC)
GNC:2671
GeneCards
DAO
GenBank Gene Database
X13227
GenBank Protein Database
30446
UniProtKB
P14920
UniProt Accession
OXDA_HUMAN
DAAO
DAMOX
DAO
>D-amino-acid oxidase
MRVVVIGAGVIGLSTALCIHERYHSVLQPLDIKVYADRFTPLTTTDVAAGLWQPYLSDPN
NPQEADWSQQTFDYLLSHVHSPNAENLGLFLISGYNLFHEAIPDPSWKDTVLGFRKLTPR
ELDMFPDYGYGWFHTSLILEGKNYLQWLTERLTERGVKFFQRKVESFEEVAREGADVIVN
CTGVWAGALQRDPLLQPGRGQIMKVDAPWMKHFILTHDPERGIYNSPYIIPGTQTVTLGG
IFQLGNWSELNNIQDHNTIWEGCCRLEPTLKNARIIGERTGFRPVRPQIRLEREQLRTGP
SNTEVIHNYGHGGYGLTIHWGCALEAAKLFGRILEEKKLSRMPPSHL
>1044 bp
ATGCGTGTGGTGGTGATTGGAGCAGGAGTCATCGGGCTGTCCACCGCCCTCTGCATCCAT
GAGCGCTACCACTCAGTCCTGCAGCCACTGCACATAAAGGTCTACGCGGACCGCTTCACC
CCACTCACCACCACCGACGTGGCTGCCGGCCTCTGGCAGCCCTACCTTTCTGACCCCAAC
AACCCACAGGAGGCGGACTGGAGCCAACAGACCTTTGACTATCTCCTGAGCCATGTCCAT
TCTCCCAACGCTGAAAACCTGGGCCTGTTCCTAATCTCGGGCTACAACCTCTTCCATGAA
GCCATTCCGGACCCTTCCTGGAAGGACACAGTTCTGGGATTTCGGAAGCTGACCCCCAGA
GAGCTGGATATGTTCCCAGATTACGGCTATGGCTGGTTCCACACAAGCCTAATTCTGGAG
GGAAAGAACTATCTACAGTGGCTGACTGAAAGGTTAACTGAGAGGGGAGTGAAGTTCTTC
CAGCGGAAAGTGGAGTCTTTTGAGGAGGTGGCAAGAGAAGGCGCAGACGTGATTGTCAAC
TGCACTGGGGTATGGGCTGGGGCGCTACAACGAGACCCCCTGCTGCAGCCAGGCCGGGGG
CAGATCATGAAGGTGGACGCCCCTTGGATGAAGCACTTCATTCTCACCCATGACCCAGAG
AGAGGCATCTACAATTCCCCGTACATCATCCCAGGGACCCAGACAGTTACTCTTGGAGGC
ATCTTCCAGTTGGGAAACTGGAGTGAACTAAACAATATCCAGGACCACAACACCATTTGG
GAAGGCTGCTGCAGACTGGAGCCCACACTGAAGAATGCAAGAATTATTGGTGAAGCAACT
GGCTTCCGGCCAGTACGCCCCCAGATTCGGCTAGAAAGAGAACAGCTTCGCACTGGACCT
TCAAACACAGAGGTCATCCACAACTATGGCCATGGAGGCTACGGGCTCACCATCCACTGG
GGATGTGCCCTGGAGGCAGCCAAGCTCTTTGGGAGAATCCTGGAAGAAAAGAAATTGTCC
AGAATGCCACCATCCCACCTCTGA
PF01266
DAO
function
catalytic activity
function
oxidoreductase activity
function
oxidoreductase activity, acting on the CH-NH2 group of donors
function
oxidoreductase activity, acting on the CH-NH2 group of donors, oxygen as acceptor
function
D-amino-acid oxidase activity
process
metabolism
process
cellular metabolism
process
generation of precursor metabolites and energy
process
electron transport
process
physiological process
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object