Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04284"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Proline Betaine"
|
| 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
Pyrrolidine Carboxylic Acids
Polyamines
Enolates
Carboxylic Acids
pyrrolidine carboxylic acid or derivative
pyrrolidine carboxylic acid
pyrrolidine
carboxylic acid
enolate
polyamine
amine
organonitrogen compound
logP
-1.5
ALOGPS
logS
-2.2
ALOGPS
Water Solubility
1.06e+00 g/l
ALOGPS
logP
-3.9
ChemAxon
IUPAC Name
(2R)-2-carboxy-1,1-dimethylpyrrolidin-1-ium
ChemAxon
Traditional IUPAC Name
proline betaine
ChemAxon
Molecular Weight
144.1916
ChemAxon
Monoisotopic Weight
144.102453697
ChemAxon
SMILES
C[N+]1(C)CCC[C@@H]1C(O)=O
ChemAxon
Molecular Formula
C7H14NO2
ChemAxon
InChI
InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/p+1/t6-/m1/s1
ChemAxon
InChIKey
InChIKey=CMUNUTVVOOHQPW-ZCFIWIBFSA-O
ChemAxon
Polar Surface Area (PSA)
37.3
ChemAxon
Refractivity
49.27
ChemAxon
Polarizability
15.41
ChemAxon
Rotatable Bond Count
1
ChemAxon
H Bond Acceptor Count
2
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest acidic)
2.26
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
ChEBI
35280
PubChem Compound
7016563
PubChem Substance
46504751
PDB
PBE
BE0002045
Glycine betaine-binding periplasmic protein
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
unknown
Glycine betaine-binding periplasmic protein
Amino acid transport and metabolism
Member of a multicomponent binding-protein-dependent transport system (the proU transporter) which serves as the glycine betaine/L-proline transporter
proX
Periplasm
None
6.31
36023.0
Escherichia coli (strain K12)
GenBank Gene Database
M24856
GenBank Protein Database
147373
UniProtKB
P0AFM2
UniProt Accession
PROX_ECOLI
>Glycine betaine-binding periplasmic protein precursor
MRHSVLFATAFATLISTQTFAADLPGKGITVNPVQSTITEETFQTLLVSRALEKLGYTVN
KPSEVDYNVGYTSLASGDATFTAVNWTPLHDNMYEAAGGDKKFYREGVFVNGAAQGYLID
KKTADQYKITNIAQLKDPKIAKLFDTNGDGKADLTGCNPGWGCEGAINHQLAAYELTNTV
THNQGNYAAMMADTISRYKEGKPVFYYTWTPYWVSNELKPGKDVVWLQVPFSALPGDKNA
DTKLPNGANYGFPVSTMHIVANKAWAEKNPAAAKLFAIMQLPVADINAQNAIMHDGKASE
GDIQGHVDGWIKAHQQQFDGWVNEALAAQK
>993 bp
ATGCGACATAGCGTACTTTTTGCGACAGCGTTTGCCACGCTTATCTCTACACAAACTTTT
GCTGCCGATCTGCCGGGCAAAGGCATTACTGTTAATCCAGTTCAGAGCACCATCACTGAA
GAAACCTTCCAGACGCTGCTGGTCAGTCGTGCGCTGGAGAAATTAGGTTATACCGTCAAC
AAACCCAGCGAAGTAGATTACAACGTTGGCTACACCTCGCTTGCTTCCGGCGATGCAACC
TTCACCGCCGTGAACTGGACGCCACTGCATGACAACATGTACGAAGCTGCCGGTGGCGAT
AAGAAATTTTATCGTGAAGGGGTATTTGTTAACGGCGCGGCACAGGGTTACCTGATCGAT
AAGAAAACCGCCGACCAGTACAAAATCACCAACATCGCACAACTGAAAGATCCGAAGATC
GCCAAACTGTTCGATACCAACGGCGACGGAAAAGCGGATTTAACCGGTTGTAACCCTGGC
TGGGGCTGCGAAGGTGCGATCAACCACCAGCTTGCCGCGTATGAACTGACCAACACCGTG
ACGCATAATCAGGGGAACTACGCAGCGATGATGGCCGACACCATCAGTCGCTACAAAGAG
GGCAAACCGGTGTTTTATTACACCTGGACGCCGTACTGGGTGAGTAACGAACTGAAGCCG
GGCAAAGATGTCGTCTGGTTGCAGGTGCCGTTCTCCGCACTGCCGGGCGATAAAAACGCC
GATACCAAACTGCCGAATGGTGCGAATTATGGCTTCCCGGTCAGCACCATGCATATCGTT
GCCAACAAAGCCTGGGCCGAGAAAAACCCGGCAGCAGCGAAACTGTTTGCCATTATGCAG
TTGCCAGTGGCAGATATTAACGCCCAGAACGCCATTATGCATGACGGCAAAGCCTCAGAA
GGCGATATTCAGGGACACGTTGATGGTTGGATCAAAGCCCACCAGCAGCAGTTCGATGGC
TGGGTGAATGAGGCGCTGGCAGCGCAGAAGTAA
PF04069
OpuAC
function
transporter activity
function
binding
process
cellular physiological process
process
transport
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