Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04112"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"1-Octadecyl-2-Acetamido-2-Deoxy-Sn-Glycerol-3-Phosphoethylmethyl Sulfide"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the phosphoethanolamines. These are compounds containing a phosphate linked to the second carbon of an ethanolamine.
Phosphoethanolamines
Organic Compounds
Organophosphorus Compounds
Organic Phosphoric Acids and Derivatives
Organophosphate Esters
Organic Phosphoric Acids
Secondary Carboxylic Acid Amides
Thioethers
Polyamines
Ethers
Enolates
Carboxylic Acids
organic phosphate
secondary carboxylic acid amide
carboxamide group
carboxylic acid derivative
thioether
carboxylic acid
polyamine
ether
enolate
amine
organonitrogen compound
logP
6.11
ALOGPS
logS
-6.2
ALOGPS
Water Solubility
3.49e-04 g/l
ALOGPS
logP
7.11
ChemAxon
IUPAC Name
[(2S)-2-acetamido-3-(octadecyloxy)propoxy][2-(methylsulfanyl)ethoxy]phosphinic acid
ChemAxon
Traditional IUPAC Name
(2S)-2-acetamido-3-(octadecyloxy)propoxy(2-(methylsulfanyl)ethoxy)phosphinic acid
ChemAxon
Molecular Weight
539.749
ChemAxon
Monoisotopic Weight
539.340945667
ChemAxon
SMILES
CCCCCCCCCCCCCCCCCCOC[C@@H](CO[P@](O)(=O)OCCSC)NC(C)=O
ChemAxon
Molecular Formula
C26H54NO6PS
ChemAxon
InChI
InChI=1S/C26H54NO6PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31-23-26(27-25(2)28)24-33-34(29,30)32-21-22-35-3/h26H,4-24H2,1-3H3,(H,27,28)(H,29,30)/t26-/m0/s1
ChemAxon
InChIKey
InChIKey=ZULTVWFLRZJENJ-SANMLTNESA-N
ChemAxon
Polar Surface Area (PSA)
94.09
ChemAxon
Refractivity
147.14
ChemAxon
Polarizability
65.76
ChemAxon
Rotatable Bond Count
27
ChemAxon
H Bond Acceptor Count
4
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
1.92
ChemAxon
pKa (strongest basic)
-0.95
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
0
ChemAxon
PubChem Compound
46936891
PubChem Substance
46506883
PDB
INB
BE0001640
Phospholipase A2, membrane associated
Human
# 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
unknown
Phospholipase A2, membrane associated
Involved in phospholipase A2 activity
Thought to participate in the regulation of the phospholipid metabolism in biomembranes including eicosanoid biosynthesis. Catalyzes the calcium-dependent hydrolysis of the 2- acyl groups in 3-sn-phosphoglycerides
PLA2G2A
1p35
Membrane; peripheral membrane protein
None
9.51
16083.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:9031
GenAtlas
PLA2G2A
GeneCards
PLA2G2A
GenBank Gene Database
M22430
GenBank Protein Database
190889
UniProtKB
P14555
UniProt Accession
PA2GA_HUMAN
EC 3.1.1.4
GIIC sPLA2
Group IIA phospholipase A2
Non-pancreatic secretory phospholipase A2
NPS-PLA2
Phosphatidylcholine 2-acylhydrolase
Phospholipase A2, membrane associated precursor
>Phospholipase A2, membrane associated precursor
MKTLLLLAVIMIFGLLQAHGNLVNFHRMIKLTTGKEAALSYGFYGCHCGVGGRGSPKDAT
DRCCVTHDCCYKRLEKRGCGTKFLSYKFSNSGSRITCAKQDSCRSQLCECDKAAATCFAR
NKTTYNKKYQYYSNKHCRGSTPRC
>435 bp
ATGAAGACCCTCCTACTGTTGGCAGTGATCATGATCTTTGGCCTACTGCAGGCCCATGGG
AATTTGGTGAATTTCCACAGAATGATCAAGTTGACGACAGGAAAGGAAGCCGCACTCAGT
TATGGCTTCTACGGCTGCCACTGTGGCGTGGGTGGCAGAGGATCCCCCAAGGATGCAACG
GATCGCTGCTGTGTCACTCATGACTGTTGCTACAAACGTCTGGAGAAACGTGGATGTGGC
ACCAAATTTCTGAGCTACAAGTTTAGCAACTCGGGGAGCAGAATCACCTGTGCAAAACAG
GACTCCTGCAGAAGTCAACTGTGTGAGTGTGATAAGGCTGCTGCCACCTGTTTTGCTAGA
AACAAGACGACCTACAATAAAAAGTACCAGTACTATTCCAATAAACACTGCAGAGGGAGC
ACCCCTCGTTGCTGA
PF00068
Phospholip_A2_1
function
cation binding
function
calcium ion binding
function
hydrolase activity, acting on ester bonds
function
binding
function
carboxylic ester hydrolase activity
function
lipase activity
function
catalytic activity
function
phospholipase activity
function
phospholipase A2 activity
function
hydrolase activity
function
ion binding
process
primary metabolism
process
lipid metabolism
process
physiological process
process
metabolism
process
lipid catabolism
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines2/drugbank_small.nt
The resource does not appear as an object