Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB01736"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"[3-(Dodecanoylamino)Propyl](Hydroxy)Dimethylammonium"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the n-acyl amines. These are compounds containing a fatty acid moiety linked to an amine group through an ester linkage.
N-acyl Amines
Organic Compounds
Lipids
Fatty Amides
N-acyl Amines
Secondary Carboxylic Acid Amides
Enolates
Polyamines
Carboxylic Acids
Amine Oxides and Derivatives
secondary carboxylic acid amide
carboxamide group
carboxylic acid derivative
enolate
carboxylic acid
polyamine
organonitrogen compound
amine
n-oxide
logP
2.24
ALOGPS
logS
-5.2
ALOGPS
Water Solubility
1.90e-03 g/l
ALOGPS
logP
2.85
ChemAxon
IUPAC Name
N-[3-(dimethyl-oxo-$l^{5}-azanyl)propyl]dodecanamide
ChemAxon
Traditional IUPAC Name
N-[3-(dimethyl-oxo-$l^{5}-azanyl)propyl]dodecanamide
ChemAxon
Molecular Weight
300.4799
ChemAxon
Monoisotopic Weight
300.277678406
ChemAxon
SMILES
CCCCCCCCCCCC(=O)NCCC[N+](C)(C)[O-]
ChemAxon
Molecular Formula
C17H36N2O2
ChemAxon
InChI
InChI=1S/C17H36N2O2/c1-4-5-6-7-8-9-10-11-12-14-17(20)18-15-13-16-19(2,3)21/h4-16H2,1-3H3,(H,18,20)
ChemAxon
InChIKey
InChIKey=JNGWKQJZIUZUPR-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
55.98
ChemAxon
Refractivity
90.33
ChemAxon
Polarizability
39.14
ChemAxon
Rotatable Bond Count
14
ChemAxon
H Bond Acceptor Count
2
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest acidic)
15.85
ChemAxon
pKa (strongest basic)
4.13
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
94599
PubChem Substance
46506674
ChemSpider
85363
PDB
LDM
BE0000599
ADP/ATP translocase 1
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
ADP/ATP translocase 1
Involved in nucleotide transporter activity
Catalyzes the exchange of ADP and ATP across the mitochondrial inner membrane
SLC25A4
4q35
Mitochondrion; mitochondrial inner membrane; multi-pass membrane protein
4-38
74-99
108-142
175-201
206-240
272-297
10.27
32934.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:10990
GenAtlas
SLC25A4
GeneCards
SLC25A4
GenBank Gene Database
J02966
GenBank Protein Database
339920
UniProtKB
P12235
UniProt Accession
ADT1_HUMAN
Adenine nucleotide translocator 1
ADP,ATP carrier protein 1
ADP,ATP carrier protein, heart/skeletal muscle isoform T1
ANT 1
Solute carrier family 25 member 4
>ADP/ATP translocase 1
GDHAWSFLKDFLAGGVAAAVSKTAVAPIERVKLLLQVQHASKQISAEKQYKGIIDCVVRI
PKEQGFLSFWRGNLANVIRYFPTQALNFAFKDKYKQLFLGGVDRHKQFWRYFAGNLASGG
AAGATSLCFVYPLDFARTRLAADVGKGAAQREFHGLGDCIIKIFKSDGLRGLYQGFNVSV
QGIIIYRAAYFGVYDTAKGMLPDPKNVHIFVSWMIAQSVTAVAGLVSYPFDTVRRRMMMQ
SGRKGADIMYTGTVDCWRKIAKDEGAKAFFKGAWSNVLRGMGGAFVLVLYDEIKKYV
>894 bp
ATGGGTGATCACGCTTGGAGCTTCCTAAAGGACTTCCTGGCCGGGGCGGTCGCCGCTGCC
GTCTCCAAGACCGCGGTCGCCCCCATCGAGAGGGTCAAACTGCTGCTGCAGGTCCAGCAT
GCCAGCAAACAGATCAGTGCTGAGAAGCAGTACAAAGGGATCATTGATTGTGTGGTGAGA
ATCCCTAAGGAGCAGGGCTTCCTCTCCTTCTGGAGGGGTAACCTGGCCAACGTGATCCGT
TACTTCCCCACCCAAGCTCTCAACTTCGCCTTCAAGGACAAGTACAAGCAGCTCTTCTTA
GGGGGTGTGGATCGGCATAAGCAGTTCTGGCGCTACTTTGCTGGTAACCTGGCGTCCGGT
GGGGCCGCTGGGGCCACCTCCCTTTGCTTTGTCTACCCGCTGGACTTTGCTAGGACCAGG
TTGGCTGCTGATGTGGGCAGGCGCGCCCAGCGTGAGTTCCATGGTCTGGGCGACTGTATC
ATCAAGATCTTCAAGTCTGATGGCCTGAGGGGGCTCTACCAGGGTTTCAACGTCTCTGTC
CAAGGCATCATTATCTATAGAGCTGCCTACTTCGGAGTCTATGATACTGCCAAGGGGATG
CTGCCTGACCCCAAGAACGTGCACATTTTTGTGAGCTGGATGATTGCCCAGAGTGTGACG
GCAGTCGCAGGGCTGCTGTCCTACCCCTTTGACACTGTTCGTCGTAGAATGATGATGCAG
TCCGGCCGGAAAGGGGCCGATATTATGTACACGGGGACAGTTGACTGCTGGAGGAAGATT
GCAAAAGACGAAGGAGCCAAGGCCTTCTTCAAAGGTGCCTGGTCCAATGTGCTGAGAGGC
ATGGGCGGTGCTTTTGTATTGGTGTTGTATGATGAGATCAAAAAATATGTCTAA
PF00153
Mito_carr
component
cell
component
organelle
component
membrane-bound organelle
component
intracellular membrane-bound organelle
component
mitochondrion
component
membrane
component
organelle membrane
component
organelle inner membrane
component
mitochondrial inner membrane
function
binding
function
transporter activity
process
physiological process
process
cellular physiological process
process
intracellular transport
process
transport
process
mitochondrial transport
"
|
| 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