Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB06904"
Predicate | Value (sorted: default) |
---|---|
rdfs:label |
"(5S,6S)-6-[(R)ACETOXYETH-2-YL]-PENEM-3-CARBOXYLATEPROPANE"
|
rdf:type | |
drugbank:description |
"
experimental
This compound belongs to the penems. These are organic heterocyclic compounds containing a penem moiety, which is a 2,3-didehydropenam derivative.
Penems
Organic Compounds
Heterocyclic Compounds
Lactams
Beta Lactams
Thiazolecarboxylic Acids
Thiazolines
Tertiary Carboxylic Acid Amides
Hemiaminals
Azetidines
Tertiary Amines
Carboxylic Acid Esters
Enolates
Carboxylic Acids
Ethers
Polyamines
Aminals
tertiary carboxylic acid amide
thiazole
meta-thiazoline
carboxylic acid ester
carboxamide group
tertiary amine
azetidine
hemiaminal
aminal
polyamine
ether
carboxylic acid
enolate
carboxylic acid derivative
amine
organonitrogen compound
logP
1.83
ALOGPS
logS
-2.3
ALOGPS
Water Solubility
1.43e+00 g/l
ALOGPS
logP
0.74
ChemAxon
IUPAC Name
propyl (5S,6S)-6-[(1R)-1-(acetyloxy)ethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
ChemAxon
Traditional IUPAC Name
propyl (5S,6S)-6-[(1R)-1-(acetyloxy)ethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
ChemAxon
Molecular Weight
299.343
ChemAxon
Monoisotopic Weight
299.082743349
ChemAxon
SMILES
[H][C@](C)(OC(C)=O)[C@@]1([H])C(=O)[N@]2C(=CS[C@@]12[H])C(=O)OCCC
ChemAxon
Molecular Formula
C13H17NO5S
ChemAxon
InChI
InChI=1S/C13H17NO5S/c1-4-5-18-13(17)9-6-20-12-10(11(16)14(9)12)7(2)19-8(3)15/h6-7,10,12H,4-5H2,1-3H3/t7-,10+,12+/m1/s1
ChemAxon
InChIKey
InChIKey=NEPDBQXSCUYOPA-VHRDEZTHSA-N
ChemAxon
Polar Surface Area (PSA)
72.91
ChemAxon
Refractivity
73.22
ChemAxon
Polarizability
30.38
ChemAxon
Rotatable Bond Count
7
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
0
ChemAxon
pKa (strongest acidic)
15.1
ChemAxon
pKa (strongest basic)
-6.8
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
6323187
PubChem Substance
99443375
ChemSpider
4883308
PDB
1PN
BE0001322
Signal peptidase I
Escherichia coli (strain K12)
# 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
Signal peptidase I
Intracellular trafficking, secretion, and vesicular transport
Cleavage of hydrophobic, N-terminal signal or leader sequences from secreted and periplasmic proteins
lepB
Cell inner membrane; multi-pass membrane protein
4-22
59-77
7.43
35961.0
Escherichia coli (strain K12)
GenBank Gene Database
K00426
GenBank Protein Database
146600
UniProtKB
P00803
UniProt Accession
LEP_ECOLI
EC 3.4.21.89
Leader peptidase I
SPase I
>Signal peptidase I
MANMFALILVIATLVTGILWCVDKFFFAPKRRERQAAAQAAAGDSLDKATLKKVAPKPGW
LETGASVFPVLAIVLIVRSFIYEPFQIPSGSMMPTLLIGDFILVEKFAYGIKDPIYQKTL
IETGHPKRGDIVVFKYPEDPKLDYIKRAVGLPGDKVTYDPVSKELTIQPGCSSGQACENA
LPVTYSNVEPSDFVQTFSRRNGGEATSGFFEVPKNETKENGIRLSERKETLGDVTHRILT
VPIAQDQVGMYYQQPGQQLATWIVPPGQYFMMGDNRDNSADSRYWGFVPEANLVGRATAI
WMSFDKQEGEWPTGLRLSRIGGIH
>972 bp
ATGGCGAATATGTTTGCCCTGATTCTGGTGATTGCCACACTGGTGACGGGCATTTTATGG
TGCGTGGATAAATTCTTTTTCGCACCTAAACGGCGGGAACGTCAGGCAGCGGCGCAGGCG
GCTCGGGACTCACTGGATAAAGCAACGTTGAAAAAGGTTGCGCCGAAGCCTGGCTGGCTG
GAAACCGGTGCTTCTGTTTTTCCGGTACTGGCTATCGTATTGATTGTGCGTTCGTTTATT
TATGAACCGTTCCAGATCCCGTCAGGTTCGATGATGCCGACTCTGTTAATTGGTGATTTT
ATTCTGGTAGAGAAGTTTGCTTATGGCATTAAAGATCCTATCTACCAGAAAACGCTGATC
GAAAACGGTCATCCGAAACGCGGCGATATCGTGGTCTTTAAATATCCGGAAGATCCAAAG
CTTGATTACATCAAGCGCGCGGTCGGTTTACCGGGCGATAAAGTCACTTACGATCCGGTC
TCAAAAGAGCTGACGATTCAACCGGGATGCAGTTCCGGCCAGGCGTGTGAAAACGCGCTG
CCGGCTACCTACTCAAACGTGGAACCGAGCGATTTCGTTCAGACCTTCTCACGCCGTAAT
GGTGGGGAAGCGACCAGCGGATTCTTTGAAGTGCCGAAAAACGAAACCAAAGAAAATGGA
ATTCGTCTTTCCGAGCGTAAAGAGACACTGGGTGATGTGACGCACCGCATTCTGACAGTG
CCGATTGCGCAGGATCAGGTGGGGATGTATTACCAGCAGCCAGGGCAACAACTGGCAACC
TGGATTGTTCCTCCGGGACAATACTTCATGATGGGCGACAACCGCGACAACAGCGCGGAC
AGCCGTTACTGGGGCTTTGTGCCGGAAGCGAATCTGGTCGGTCGGGCAACGGCTATCTGG
ATGAGCTTCGATAAGCAAGAAGGCGAATGGCCGACTGGTCTGCGCTTAAGTCGCATTGGC
GGCATCCATTAA
PF00717
Peptidase_S24
component
cell
component
membrane
function
hydrolase activity
function
peptidase activity
function
serine-type peptidase activity
function
catalytic activity
process
metabolism
process
macromolecule metabolism
process
protein metabolism
process
cellular protein metabolism
process
proteolysis
process
physiological process
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object