Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03692"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"1-Hexadecanosulfonyl-O-L-Serine"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
Alpha Amino Acids and Derivatives
Organic Compounds
Organic Acids and Derivatives
Carboxylic Acids and Derivatives
Amino Acids, Peptides, and Analogues
Sulfonyls
Sulfonic Acids and Derivatives
Organic Sulfites
Polyamines
Enolates
Carboxylic Acids
Monoalkylamines
sulfonyl
sulfonic acid derivative
organic sulfite
polyamine
enolate
carboxylic acid
amine
primary amine
primary aliphatic amine
organonitrogen compound
logP
2.21
ALOGPS
logS
-5.9
ALOGPS
Water Solubility
4.48e-04 g/l
ALOGPS
logP
2.86
ChemAxon
IUPAC Name
(2S)-2-amino-3-[(hexadecane-1-sulfonyl)oxy]propanoic acid
ChemAxon
Traditional IUPAC Name
(2S)-2-amino-3-[(hexadecane-1-sulfonyl)oxy]propanoic acid
ChemAxon
Molecular Weight
393.582
ChemAxon
Monoisotopic Weight
393.254894053
ChemAxon
SMILES
[H][C@](N)(COS(=O)(=O)CCCCCCCCCCCCCCCC)C(O)=O
ChemAxon
Molecular Formula
C19H39NO5S
ChemAxon
InChI
InChI=1S/C19H39NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26(23,24)25-17-18(20)19(21)22/h18H,2-17,20H2,1H3,(H,21,22)/t18-/m0/s1
ChemAxon
InChIKey
InChIKey=NKAIXQDVYXAWPS-SFHVURJKSA-N
ChemAxon
Polar Surface Area (PSA)
106.69
ChemAxon
Refractivity
104
ChemAxon
Polarizability
47.23
ChemAxon
Rotatable Bond Count
19
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
1.54
ChemAxon
pKa (strongest basic)
8.57
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
17754154
PubChem Substance
46508679
ChemSpider
16744187
PDB
S1H
BE0002041
Phospholipase A1
Escherichia coli (strain K12)
# 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
# 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
Phospholipase A1
Cell wall/membrane/envelope biogenesis
Hydrolysis of phosphatidylcholine with phospholipase A2 (EC 3.1.1.4) and phospholipase A1 (EC 3.1.1.32) activities. Required for efficient secretion of bacteriocins; seems to be dormant in normal growing cells
pldA
Cell outer membrane. Note=One of the very few enzymes located there
None
4.96
33163.0
Escherichia coli (strain K12)
GenBank Gene Database
X02143
GenBank Protein Database
757840
UniProtKB
P0A921
UniProt Accession
PA1_ECOLI
Detergent- resistant phospholipase A
DR-phospholipase A
EC 3.1.1.32
EC 3.1.1.4
OM PLA
OMPLA
Outer membrane phospholipase A
Phosphatidylcholine 1-acylhydrolase
>Phospholipase A1 precursor
MRTLQGWLLPVFMLPMAVYAQEATVKEVHDAPAVRGSIIANMLQEHDNPFTLYPYDTNYL
IYTQTSDLNKEAIASYDWAENARKDEVKFQLSLAFPLWRGILGPNSVLGASYTQKSWWQL
SNSEESSPFRETNYEPQLFLGFATDYRFAGWTLRDVEMGYNHDSNGRSDPTSRSWNRLYT
RLMAENGNWLVEVKPWYVVGNTDDNPDITKYMGYYQLKIGYHLGDAVLSAKGQYNWNTGY
GGAELGLSYPITKHVRLYTQVYSGYGESLIDYNFNQTRVGVGVMLNDLF
>870 bp
ATGCGGACTCTGCAGGGCTGGTTGTTGCCGGTGTTTATGTTGCCTATGGCAGTATATGCA
CAAGAGGCAACGGTGAAAGAGGTGCATGACGCGCCAGCGGTGCGTGGCAGTATTATCGCC
AATATGCTGCAGGAGCATGACAATCCGTTCACGCTCTATCCTTATGACACCAACTACCTC
ATTTACACCCAAACCAGCGATCTGAATAAAGAAGCGATTGCCAGTTACGACTGGGCGGAA
AATGCGCGTAAGGATGAAGTAAAGTTTCAGTTGAGCCTGGCATTTCCGCTGTGGCGTGGG
ATTTTAGGCCCGAACTCGGTGTTGGGTGCGTCTTATACGCAAAAATCCTGGTGGCAACTG
TCCAATAGCGAAGAGTCTTCACCGTTTCGTGAAACCAACTACGAACCGCAATTGTTCCTC
GGTTTTGCCACCGATTACCGTTTTGCAGGTTGGACGCTGCGCGATGTGGAGATGGGGTAT
AACCACGACTCTAACGGGCGTTCCGACCCGACCTCCCGCAGCTGGAACCGCCTTTATACT
CGCCTGATGGCAGAAAACGGTAACTGGCTGGTAGAAGTGAAGCCGTGGTATGTGGTGGGT
AATACTGACGATAACCCGGATATCACCAAATATATGGGTTACTACCAGCTTAAAATCGGC
TATCACCTCGGTGATGCGGTGCTCAGTGCGAAAGGACAGTACAACTGGAACACCGGCTAC
GGCGGCGCGGAGTTAGGCTTAAGTTACCCGATCACCAAACATGTGCGCCTTTATACTCAG
GTTTACAGCGGCTATGGCGAATCGCTCATCGACTATAACTTCAACCAGACCCGTGTCGGT
GTGGGGGTTATGCTAAACGATTTGTTTTGA
PF02253
PLA1
component
membrane
component
cell
function
hydrolase activity, acting on ester bonds
function
carboxylic ester hydrolase activity
function
lipase activity
function
phospholipase activity
function
catalytic activity
function
hydrolase activity
process
primary metabolism
process
lipid metabolism
process
physiological process
process
metabolism
"
|
| 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