Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02085"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"1-Aminocyclopropanecarboxylic Acid"
|
| rdf:type | |
| ns1:description |
"
22059-21-8
experimental
Wolfgang Kleemiss, Marcel Feld, "Process for the preparation of 1-aminocyclopropanecarboxylic acid hydrochloride." U.S. Patent US5569781, issued October 29, 1996.
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
1-Aminocyclopropane-1-carboxylic Acids and Derivatives
Cyclopropanecarboxylic Acids
Enolates
Polyamines
Carboxylic Acids
Monoalkylamines
1-aminocyclopropane-1-carboxylic acid or derivative
cyclopropanecarboxylic acid
cyclopropanecarboxylic acid or derivative
enolate
carboxylic acid
polyamine
primary amine
amine
primary aliphatic amine
organonitrogen compound
logP
-3
ALOGPS
logS
0.64
ALOGPS
Water Solubility
4.37e+02 g/l
ALOGPS
logP
-2.7
ChemAxon
IUPAC Name
1-aminocyclopropane-1-carboxylic acid
ChemAxon
Traditional IUPAC Name
1-aminocyclopropane-1-carboxylic acid
ChemAxon
Molecular Weight
101.1039
ChemAxon
Monoisotopic Weight
101.047678473
ChemAxon
SMILES
NC1(CC1)C(O)=O
ChemAxon
Molecular Formula
C4H7NO2
ChemAxon
InChI
InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7)
ChemAxon
InChIKey
InChIKey=PAJPWUMXBYXFCZ-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
63.32
ChemAxon
Refractivity
23.25
ChemAxon
Polarizability
9.6
ChemAxon
Rotatable Bond Count
1
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
2.2
ChemAxon
pKa (strongest basic)
9.35
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
logP
-2.78
TSAI,RS ET AL. (1991)
pKa
2.73
TSAI,RS ET AL. (1991)
ChEBI
18053
PubChem Compound
535
PubChem Substance
46505058
KEGG Compound
C01234
ChemSpider
520
PDB
1AC
BE0001378
1-aminocyclopropane-1-carboxylate deaminase
Pseudomonas sp. (strain ACP)
# 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
1-aminocyclopropane-1-carboxylate deaminase
Amino acid transport and metabolism
Catalyzes a cyclopropane ring-opening reaction, the irreversible conversion of 1-aminocyclopropane-1-carboxylate (ACC) to ammonia and alpha-ketobutyrate. Allows growth on ACC as a nitrogen source
acdS
Cytoplasmic
None
6.52
36672.0
Pseudomonas sp. (strain ACP)
GenBank Gene Database
M73488
GenBank Protein Database
150963
UniProtKB
Q00740
UniProt Accession
1A1D_PSEUD
ACC deaminase
ACCD
EC 3.5.99.7
>1-aminocyclopropane-1-carboxylate deaminase
MNLQRFPRYPLTFGPTPIQPLARLSKHLGGKVHLYAKREDCNSGLAFGGNKTRKLEYLIP
EALAQGCDTLVSIGGIQSNQTRQVAAVAAHLGMKCVLVQENWVNYSDAVYDRVGNIQMSR
ILGADVRLVPDGFDIGFRRSWEDALESVRAAGGKPYAIPAGCSDHPLGGLGFVGFAEEVR
AQEAELGFKFDYVVVCSVTGSTQAGMVVGFAADGRADRVIGVDASAKPAQTREQITRIAR
QTAEKVGLERDIMRADVVLDERFAGPEYGLPNEGTLEAIRLCARTEGMLTDPVYEGKSMH
GMIEMVRNGEFPEGSRVLYAHLGGVPALNGYSFIFRDG
>1017 bp
ATGAACCTGCAACGATTCCCTCGTTACCCGCTGACTTTCGGGCCGACGCCAATCCAACCG
CTAGCGCGTCTGAGCAAGCACCTCGGCGGCAAAGTGCATCTGTATGCGAAACGCGAAGAC
TGCAACAGCGGCCTGGCGTTCGGTGGCAACAAGACACGCAAGCTCGAATATCTGATCCCT
GAAGCGCTTGCTCAGGGTTGCGACACGCTCGTGTCGATCGGCGGCATTCAGTCGAACCAG
ACGCGCCAGGTGGCGGCCGTGGCGGCTCATCTGGGCATGAAGTGCGTGCTGGTGCAGGAG
AACTGGGTCAACTATTCGGACGCAGTCTACGACCGCGTCGGCAACATCCAGATGTCGCGC
ATTCTCGGCGCCGATGTTCGCCTCGTGCCCGACGGCTTCGACATCGGTTTTCGCAGGAGC
TGGGAGGATGCGCTGGAAAGCGTGCGGGCGGCCGGCGGCAAGCCGTATGCGATTCCGGCA
GGCTGCTCGGATCACCCGCTCGGCGGCCTGGGTTTCGTCGGCTTCGCGGAGGAGGTGCGG
GCGCAGGAAGCCGAATTGGGCTTCAAATTCGACTATGTCGTCGTGTGTTCCGTGACCGGC
AGCACGCAGGCCGGCATGGTGGTGGGCTTCGCCGCTGACGGCCGCGCCGATCGCGTGATC
GGCGTCGACGCTTCGGCCAAACCCGCGCAGACGCGCGAGCAGATCACCCGCATCGCGAGA
CAGACCGCGGAGAAAGTCGGCCTGGAGCGCGATATCATGCGGGCCGACGTGGTGCTCGAC
GAGCGCTTCGCGGGTCCGGAATACGGATTGCCGAACGAAGGCACGCTGGAAGCGATCCGC
TTGTGCGCGCGCACGGAGGGCATGCTGACCGATCCCGTCTACGAAGGCAAATCGATGCAC
GGCATGATCGAAATGGTGCGCAACGGCGAATTTCCGGAAGGCTCGCGCGTGCTGTATGCG
CACCTCGGCGGGGTGCCGGCGTTGAACGGCTACAGCTTTATCTTCCGAGACGGCTGA
PF00291
PALP
function
hydrolase activity
function
hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
function
1-aminocyclopropane-1-carboxylate deaminase activity
function
catalytic activity
process
metabolism
process
cellular metabolism
process
amino acid metabolism
process
amino acid and derivative metabolism
process
sulfur amino acid metabolism
process
methionine metabolism
process
physiological process
process
ethylene biosynthesis
"
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| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object