Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB07646"
| Predicate | Value (sorted: none) |
|---|---|
| rdfs:label |
"UNDECYLAMINE-N,N-DIMETHYL-N-OXIDE"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the polyamines. These are compounds containing more than one amine group.
Polyamines
Organic Compounds
Organonitrogen Compounds
Amines
Polyamines
Amine Oxides and Derivatives
n-oxide
logP
1.78
ALOGPS
logS
-5.9
ALOGPS
Water Solubility
2.84e-04 g/l
ALOGPS
logP
3.5
ChemAxon
IUPAC Name
N,N-dimethylundecanamine oxide
ChemAxon
Traditional IUPAC Name
N,N-dimethylundecanamine oxide
ChemAxon
Molecular Weight
215.3755
ChemAxon
Monoisotopic Weight
215.224914555
ChemAxon
SMILES
CCCCCCCCCCC[N+](C)(C)[O-]
ChemAxon
Molecular Formula
C13H29NO
ChemAxon
InChI
InChI=1S/C13H29NO/c1-4-5-6-7-8-9-10-11-12-13-14(2,3)15/h4-13H2,1-3H3
ChemAxon
InChIKey
InChIKey=OZHBUVQCJMARBN-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
26.88
ChemAxon
Refractivity
68.11
ChemAxon
Polarizability
28.95
ChemAxon
Rotatable Bond Count
10
ChemAxon
H Bond Acceptor Count
1
ChemAxon
H Bond Donor Count
0
ChemAxon
pKa (strongest basic)
4.17
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
4112111
PubChem Substance
99444117
ChemSpider
3325740
PDB
DET
BE0004029
Light-harvesting protein B-800/850 beta 1 chain
Rhodospirillum molischianum
# 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
Light-harvesting protein B-800/850 beta 1 chain
Involved in bacteriochlorophyll binding
Antenna complexes are light-harvesting systems, which transfer the excitation energy to the reaction centers
B1
Cell inner membrane
20-42
5.51
5247.1
Rhodospirillum molischianum
GeneCards
B1
GenBank Gene Database
S82431
GenBank Protein Database
1835908
UniProtKB
P95673
UniProt Accession
LHB1_RHOMO
Antenna pigment protein beta 1 chain
>Light-harvesting protein B-800/850 beta 1 chain
MAERSLSGLTEEEAIAVHDQFKTTFSAFIILAAVAHVLVWVWKPWF
>141 bp
ATGGCTGAAAGAAGCTTGTCGGGCCTGACCGAGGAAGAGGCGATCGCGGTCCACGACCAG
TTCAAGACCACCTTCTCCGCTTTCATCATCCTGGCCGCCGTCGCGCACGTGCTGGTTTGG
GTCTGGAAGCCCTGGTTCTGA
PF00556
LHC
component
organelle inner membrane
component
light-harvesting complex
component
light-harvesting complex (sensu Proteobacteria)
component
cell
component
intrinsic to membrane
component
integral to membrane
component
membrane
component
protein complex
component
organelle membrane
function
electron transporter, transferring electrons within the cyclic electron transport pathway of photosynthesis activity
function
transporter activity
function
electron transporter activity
process
metabolism
process
cellular metabolism
process
photosynthesis, light reaction
process
generation of precursor metabolites and energy
process
physiological process
BE0004030
Light-harvesting protein B-800/850 alpha chain
Rhodospirillum molischianum
# 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
Light-harvesting protein B-800/850 alpha chain
Involved in bacteriochlorophyll binding
Antenna complexes are light-harvesting systems, which transfer the excitation energy to the reaction centers
A1
Cell inner membrane
19-39
10.02
6071.1
Rhodospirillum molischianum
GeneCards
A1
GenBank Gene Database
S82431
GenBank Protein Database
1835908
UniProtKB
P97253
UniProt Accession
LHA_RHOMO
Antenna pigment protein alpha chain
>Light-harvesting protein B-800/850 alpha chain
MSNPKDDYKIWLVINPSTWLPVIWIVATVVAIAVHAAVLAAPGFNWIALGAAKSAAK
>141 bp
ATGGCTGAAAGAAGCTTGTCGGGCCTGACCGAGGAAGAGGCGATCGCGGTCCACGACCAG
TTCAAGACCACCTTCTCCGCTTTCATCATCCTGGCCGCCGTCGCGCACGTGCTGGTTTGG
GTCTGGAAGCCCTGGTTCTGA
PF00556
LHC
component
light-harvesting complex (sensu Proteobacteria)
component
cell
component
intrinsic to membrane
component
integral to membrane
component
membrane
component
protein complex
component
organelle membrane
component
organelle inner membrane
component
light-harvesting complex
function
electron transporter, transferring electrons within the cyclic electron transport pathway of photosynthesis activity
function
transporter activity
function
electron transporter activity
process
generation of precursor metabolites and energy
process
physiological process
process
metabolism
process
cellular metabolism
process
photosynthesis, light reaction
BE0000382
Dihydroorotate dehydrogenase (quinone), mitochondrial
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
Dihydroorotate dehydrogenase (quinone), mitochondrial
Nucleotide transport and metabolism
DHODH
16q22
Mitochondrion; mitochondrial inner membrane
13-32
10.23
42868.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:2867
GenAtlas
DHODH
GeneCards
DHODH
GenBank Gene Database
M94065
GenBank Protein Database
555594
UniProtKB
Q02127
UniProt Accession
PYRD_HUMAN
DHOdehase
Dihydroorotate dehydrogenase, mitochondrial precursor
Dihydroorotate oxidase
EC 1.3.3.1
>Dihydroorotate dehydrogenase, mitochondrial precursor
MAWRHLKKRAQDAVIILGGGGLLFASYLMATGDERFYAEHLMPTLQGLLDPESAHRLAVR
FTSLGLLPRARFQDSDMLEVRVLGHKFRNPVGIAAGFDKHGEAVDGLYKMGFGFVEIGSV
TPKPQEGNPRPRVFRLPEDQAVINRYGFNSHGLSVVEHRLRARQQKQAKLTEDGLPLGVN
LGKNKTSVDAAEDYAEGVRVLGPLADYLVVNVSSPNTAGLRSLQGKAELRRLLTKVLQER
DGLRRVHRPAVLVKIAPDLTSQDKEDIASVVKELGIDGLIVTNTTVSRPAGLQGALRSET
GGLSGKPLRDLSTQTIREMYALTQGRVPIIGVGGVSSGQDALEKIRAGASLVQLYTALTF
WGPPVVGKVKRELEALLKEQGFGGVTDAIGADHRR
>1191 bp
AAATTACCGTGGAGACACCTGCAAAAGCGGGCCCAGGATGCTGTGATCATCCTGGGGGGA
GGAGGACTTCTCTTCGCCTCCTACCTGATGGCCACGGGAGATGAGCGTTTCTATGCTGAA
CACCTGATGCCGACTCTGCAGGGGCTGCTGGACCCGGAGTCAGCCCACAGACTGGCTGTT
CGCTTCACCTCCCTGGGGCTCCTTCCACGGGCCAGATTTCAAGACTCTGACATGCTGGAA
GTGAGAGTTCTGGGCCATAAATTCCGAAATCCAGTAGGAATTGCTGCAGGATTTGACAAG
CATGGGGAAGCCGTGGACGGACTTTATAAGATGGGCTTTGGTTTTGTTGAGATAGGAAGT
GTGACTCCAAAACCTCAGGAAGGAAACCCTAGACCCAGAGTCTTCCGCCTCCCTGAGGAC
CAAGCTGTCATTAACAGGTATGGATTTAACAGTCACGGGCTTTCAGTGGTGGAACACAGG
TTACGGGCCAGACAGCAGAAGCAGGCCAAGCTCACAGAAGATGGACTGCCTCTGGGGGTC
AACTTGGGGAAGAACAAGACCTCAGTGGACGCCGCGGAGGACTACGCAGAAGGGGTGCGC
GTACTGGGCCCCCTGGCCGACTACCTGGTGGTGAATGTGTCCAGCCCCAACACTGCCGGG
CTGCGGAGCCTTCAGGGAAAGGCCGAGCTGCGCCGCCTGCTGACCAAGGTGCTGCAGGAG
AGGGATGGCTTGCGGAGAGTGCACAGGCCGGCAGTCCTGGTGAAGATCGCTCCTGACCTC
ACCAGCCAGGATAAGGAGGACATTGCCAGTGTGGTCAAAGAGTTGGGCATCGATGGGCTG
ATTGTTACGAACACCACCGTGAGTCGCCCTGCGGGCCTCCAGGGTGCCCTGCGCTCTGAA
ACAGGAGGGCTGAGTGGGAAGCCCCTCCGGGATTTATCAACTCAAACCATTCGGGAGATG
TATGCACTCACCCAAGGCCGAGTTCCCATAATTGGGGTTGGTGGTGTGAGCAGCGGGCAG
GACGCGCTGGAGAAGATCCGGGCAGGGGCCTCCCTGGTGCAGCTGTACACGGCCCTCACC
TTCTGGGGGCCACCCGTTGTGGGCAAAGTCAAGCGGGAACTGGAGGCCCTTCTGAAAGAG
CAGGGCTTTGGCGGAGTCACAGATGCCATTGGAGCAGATCATCGGAGGTGA
PF01180
DHO_dh
component
membrane
component
cell
function
dihydroorotate oxidase activity
function
catalytic activity
function
oxidoreductase activity, acting on the CH-CH group of donors
function
dihydroorotate dehydrogenase activity
function
oxidoreductase activity
function
oxidoreductase activity, acting on the CH-CH group of donors, oxygen as acceptor
process
pyrimidine base metabolism
process
nucleobase, nucleoside, nucleotide and nucleic acid metabolism
process
pyrimidine base biosynthesis
process
nucleotide metabolism
process
'de novo' pyrimidine base biosynthesis
process
pyrimidine nucleotide metabolism
process
pyrimidine ribonucleoside monophosphate biosynthesis
process
pyrimidine nucleotide biosynthesis
process
UMP biosynthesis
process
physiological process
process
pyrimidine nucleoside monophosphate biosynthesis
process
nucleobase metabolism
process
metabolism
process
cellular metabolism
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object