Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02457"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Undecyl-Phosphinic Acid Butyl Ester"
|
| 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
logP
6.08
ALOGPS
logS
-6.2
ALOGPS
Water Solubility
1.83e-04 g/l
ALOGPS
logP
4.79
ChemAxon
IUPAC Name
butyl undecylphosphinate
ChemAxon
Traditional IUPAC Name
butyl undecylphosphinate
ChemAxon
Molecular Weight
276.3951
ChemAxon
Monoisotopic Weight
276.221816812
ChemAxon
SMILES
[H][P@@](=O)(CCCCCCCCCCC)OCCCC
ChemAxon
Molecular Formula
C15H33O2P
ChemAxon
InChI
InChI=1S/C15H33O2P/c1-3-5-7-8-9-10-11-12-13-15-18(16)17-14-6-4-2/h18H,3-15H2,1-2H3
ChemAxon
InChIKey
InChIKey=QCBLJDSWVGAXQB-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
26.3
ChemAxon
Refractivity
80.31
ChemAxon
Polarizability
35.02
ChemAxon
Rotatable Bond Count
14
ChemAxon
H Bond Acceptor Count
1
ChemAxon
H Bond Donor Count
0
ChemAxon
pKa (strongest basic)
-6.6
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
46936391
PubChem Substance
46509140
ChemSpider
16743884
PDB
C11
BE0003620
Gastric triacylglycerol lipase
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
Gastric triacylglycerol lipase
Involved in lipid binding
Triacylglycerol + H(2)O = diacylglycerol + a carboxylate
LIPF
10q23.31
Secreted
None
7.37
45237.4
Human
HUGO Gene Nomenclature Committee (HGNC)
GNC:6622
GeneCards
LIPF
GenBank Gene Database
X05997
GenBank Protein Database
758063
UniProtKB
P07098
UniProt Accession
LIPG_HUMAN
Gastric lipase
GL
>Gastric triacylglycerol lipase
MWLLLTMASLISVLGTTHGLFGKLHPGSPEVTMNISQMITYWGYPNEEYEVVTEDGYILE
VNRIPYGKKNSGNTGQRPVVFLQHGLLASATNWISNLPNNSLAFILADAGYDVWLGNSRG
NTWARRNLYYSPDSVEFWAFSFDEMAKYDLPATIDFIVKKTGQKQLHYVGHSQGTTIGFI
AFSTNPSLAKRIKTFYALAPVATVKYTKSLINKLRFVPQSLFKFIFGDKIFYPHNFFDQF
LATEVCSREMLNLLCSNALFIICGFDSKNFNTSRLDVYLSHNPAGTSVQNMFHWTQAVKS
GKFQAYDWGSPVQNRMHYDQSQPPYYNVTAMNVPIAVWNGGKDLLADPQDVGLLLPKLPN
LIYHKEIPFYNHLDFIWAMDAPQEVYNDIVSMISEDKK
>1197 bp
ATGTGGCTGCTTTTAACAATGGCAAGTTTGATATCTGTACTGGGGACTACACATGGTTTG
TTTGGAAAATTACATCCTGGAAGCCCTGAAGTGACTATGAACATTAGTCAGATGATTACT
TATTGGGGATACCCAAATGAAGAATATGAAGTTGTGACTGAAGATGGTTATATTCTTGAA
GTCAATAGAATTCCTTATGGGAAGAAAAATTCAGGGAATACAGGCCAGAGACCTGTTGTG
TTTTTGCAGCATGGTTTGCTTGCATCAGCCACAAACTGGATTTCCAACCTGCCGAACAAC
AGCCTTGCCTTCATTCTGGCAGATGCTGGTTATGATGTGTGGCTGGGCAACAGCAGAGGA
AACACCTGGGCCAGAAGAAACTTGTACTATTCACCAGATTCAGTTGAATTCTGGGCTTTC
AGCTTTGATGAAATGGCTAAATATGACCTTCCAGCCACAATCGACTTCATTGTAAAGAAA
ACTGGACAGAAGCAGCTACACTATGTTGGCCATTCCCAGGGCACCACCATTGGTTTTATT
GCCTTTTCCACCAATCCCAGCCTGGCTAAAAGAATCAAAACCTTCTATGCTCTAGCTCCT
GTTGCCACTGTGAAGTATACAAAAAGCCTTATAAACAAACTTAGATTTGTTCCTCAATCC
CTCTTCAAGTTTATATTTGGTGACAAAATATTCTACCCACACAACTTCTTTGATCAATTT
CTTGCTACTGAAGTGTGCTCCCGTGAGATGCTGAATCTCCTTTGCAGCAATGCCTTATTT
ATAATTTGTGGATTTGACAGTAAGAACTTTAACACGAGTCGCTTGGATGTGTATCTATCA
CATAATCCAGCAGGAACTTCTGTTCAAAACATGTTCCATTGGACCCAGGCTGTTAAGTCT
GGGAAATTCCAAGCTTATGACTGGGGAAGCCCAGTTCAGAATAGGATGCACTATGATCAG
TCCCAACCTCCCTACTACAATGTGACAGCCATGAATGTACCAATTGCAGTGTGGAACGGT
GGCAAGGACCTGTTGGCTGACCCCCAAGATGTTGGCCTTTTGCTTCCAAAACTCCCCAAT
CTTATTTACCACAAGGAGATTCCTTTTTACAATCACTTGGACTTTATCTGGGCAATGGAT
GCCCCTCAAGAAGTTTACAATGACATTGTTTCTATGATATCAGAAGATAAAAAGTAG
PF00561
Abhydrolase_1
PF04083
Abhydro_lipase
function
catalytic activity
function
hydrolase activity
function
hydrolase activity, acting on ester bonds
function
carboxylic ester hydrolase activity
process
metabolism
process
primary metabolism
process
lipid metabolism
process
physiological process
"
|
| 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