Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB01803"
| Predicate | Value (sorted: none) |
|---|---|
| owl:sameAs | |
| rdfs:label |
"2-(Trimethylammonium)Ethyl Thiol"
|
| 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
Alkylthiols
logP
-3.1
ALOGPS
logS
-3.5
ALOGPS
Water Solubility
5.11e-02 g/l
ALOGPS
logP
-3.6
ChemAxon
IUPAC Name
trimethyl(2-sulfanylethyl)azanium
ChemAxon
Traditional IUPAC Name
trimethyl(2-sulfanylethyl)azanium
ChemAxon
Molecular Weight
120.236
ChemAxon
Monoisotopic Weight
120.084695143
ChemAxon
SMILES
C[N+](C)(C)CCS
ChemAxon
Molecular Formula
C5H14NS
ChemAxon
InChI
InChI=1S/C5H13NS/c1-6(2,3)4-5-7/h4-5H2,1-3H3/p+1
ChemAxon
InChIKey
InChIKey=VFUGTBZQGUVGEX-UHFFFAOYSA-O
ChemAxon
Polar Surface Area (PSA)
0
ChemAxon
Refractivity
48.38
ChemAxon
Polarizability
14.66
ChemAxon
Rotatable Bond Count
2
ChemAxon
H Bond Acceptor Count
0
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest acidic)
9.7
ChemAxon
pKa (strongest basic)
-9.8
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
37851
PubChem Substance
46508271
ChemSpider
34708
PDB
ETM
BE0002557
NPQTN specific sortase B
Staphylococcus aureus (strain MW2)
unknown
NPQTN specific sortase B
srtB
None
9.4
29106.0
Staphylococcus aureus (strain MW2)
GenBank Gene Database
BA000033
UniProtKB
Q8NX63
UniProt Accession
Q8NX63_STAAW
>NPQTN specific sortase B
MRMKRFLTIVQILLVVIIIIFGYKIVQTYIEDKQERANYEKLQQKFQMLMSKHQAHVRPQ
FESLEKINKDIVGWIKLSGTSLNYPVLQGKTNHDYLNLDFEREHRRKGSIFMDFRNELKN
LNHNTILYGHHVGDNTMFDVLEDYLKQSFYEKHKIIEFDNKYGKYQLQVFSAYKTTTKDN
YIRTDFENDQDYQQFLDETKRKSVINSDVNVTVKDRIMTLSTCEDAYSETTKRIVVVAKI
IKVS
>735 bp
ATGAGAATGAAGCGATTTTTAACTATTGTACAAATTTTATTGGTTGTAATTATTATCATT
TTTGGTTACAAAATTGTTCAAACATATATTGAAGACAAGCAAGAACGCGCAAATTATGAG
AAATTACAACAAAAATTTCAAATGCTGATGAGCAAACATCAAGCACATGTGAGACCACAA
TTTGAATCACTTGAAAAAATAAATAAAGACATTGTTGGATGGATAAAATTATCAGGAACA
TCATTAAATTATCCAGTACTACAAGGTAAGACAAATCACGATTATTTAAATTTAGATTTT
GAGCGAGAACATCGACGTAAAGGTAGTATTTTTATGGATTTTAGAAATGAATTGAAGAAT
TTAAATCATAATACTATTTTATACGGGCACCATGTCGGTGATAATACGATGTTTGATGTG
TTAGAAGATTATTTAAAGCAATCGTTTTATGAAAAACACAAGATAATTGAATTTGACAAT
AAATATGGTAAATATCAATTGCAAGTATTTAGTGCATATAAAACTACTACTAAAGATAAT
TACATACGTACAGATTTTGAAAATGATCAAGATTATCAACAATTTTTAGATGAAACAAAA
CGTAAATCTGTAATTAATTCAGATGTTAATGTAACGGTAAAAGATAGAATAATGACTTTA
TCAACGTGCGAAGATGCATATAGTGAAACAACGAAAAGAATTGTTGTTGTCGCAAAAATA
ATTAAGGTAAGTTAA
PF07170
Sortase_B
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object