Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03215"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(2s,5s)-5-Carboxymethylproline"
|
| 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
Dicarboxylic Acids and Derivatives
Enolates
Polyamines
Carboxylic Acids
Dialkylamines
Alcohols and Polyols
pyrrolidine carboxylic acid
pyrrolidine carboxylic acid or derivative
dicarboxylic acid derivative
pyrrolidine
secondary amine
polyamine
secondary aliphatic amine
enolate
carboxylic acid
amine
alcohol
organonitrogen compound
logP
-2.6
ALOGPS
logS
-0.6
ALOGPS
Water Solubility
4.39e+01 g/l
ALOGPS
logP
-2.9
ChemAxon
IUPAC Name
(2S,5R)-5-(carboxymethyl)pyrrolidine-2-carboxylic acid
ChemAxon
Traditional IUPAC Name
(2S,5R)-5-(carboxymethyl)pyrrolidine-2-carboxylic acid
ChemAxon
Molecular Weight
173.1665
ChemAxon
Monoisotopic Weight
173.068807845
ChemAxon
SMILES
OC(=O)C[C@H]1CC[C@H](N1)C(O)=O
ChemAxon
Molecular Formula
C7H11NO4
ChemAxon
InChI
InChI=1S/C7H11NO4/c9-6(10)3-4-1-2-5(8-4)7(11)12/h4-5,8H,1-3H2,(H,9,10)(H,11,12)/t4-,5+/m1/s1
ChemAxon
InChIKey
InChIKey=LIZWYFXJOOUDNV-UHNVWZDZSA-N
ChemAxon
Polar Surface Area (PSA)
86.63
ChemAxon
Refractivity
38.52
ChemAxon
Polarizability
16.17
ChemAxon
Rotatable Bond Count
3
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
1.51
ChemAxon
pKa (strongest basic)
11.33
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
ChEBI
45757
PubChem Compound
25201381
PubChem Substance
46507557
PDB
SSC
BE0002807
Carbapenam-3-carboxylate synthase
Erwinia carotovora
unknown
Carbapenam-3-carboxylate synthase
Involved in asparagine synthase (glutamine-hydrolyzing) activity
carA
None
5.21
55999.0
Erwinia carotovora
GenBank Gene Database
U17224
UniProtKB
Q9XB61
UniProt Accession
CARA_ERWCA
>CarA
MSNSFCVVYKGSDTDINNIQRDFDGKGEALSNGYLFIEQNGHYQKCEMERGTAYLIGSLY
NRTFLIGLAGVWEGEAYLANDAELLALLFTRLGANALALAEGDFCFFIDEPNGELTVITE
SRGFSPVHVVQGKKAWMTNSLKLVTAAEGEGALWFEEEALVCQSLMRADTYTPVKNAQRL
KPGAVHVLTHDSEGYSFVESRTLTTPASNQLLALPREPLLALIDRYLNAPLEDLAPRFDT
VGIPLSGGLDSSLVTALASRHFKKLNTYSIGTELSNEFEFSQQVADALGTHHQMKILSET
EVINGIIESIYYNEIFDGLSAEIQSGLFNVYRQAQGQVSCMLTGYGSDLLFGGILKPGAQ
YDNPNQLLAEQVYRTRWTGEFATHGASCYGIDIRHPFWSHSLISLCHALHPDYKIFDNEV
KNILREYADSLQLLPKDIVWRKKIGIHEGSSVNQAFANVLGSTVDNYQTKSRFTYRVYQA
FLRGRLSITDVTPSQLKDLIKKD
>1512 bp
GTGAGCAATAGTTTTTGCGTTGTTTATAAAGGTTCTGATACCGATATAAATAATATCCAA
CGCGACTTCGACGGAAAGGGCGAAGCATTATCTAATGGCTATCTTTTTATCGAACAGAAT
GGCCATTATCAGAAGTGTGAGATGGAAAGAGGAACGGCCTACCTGATAGGCTCGCTGTAC
AATCGGACGTTTCTGATCGGATTGGCCGGTGTGTGGGAAGGCGAGGCTTATCTGGCAAAT
GATGCCGAGCTGTTAGCGTTGCTGTTCACGCGTTTGGGAGCGAATGCACTGGCGCTGGCT
GAAGGTGACTTCTGCTTTTTCATTGATGAACCAAACGGCGAATTGACGGTGATTACCGAG
TCGCGTGGTTTCTCGCCGGTTCATGTCGTACAGGGCAAAAAAGCCTGGATGACCAATAGC
CTTAAACTGGTTACTGCGGCAGAAGGTGAAGGCGCGCTGTGGTTTGAAGAAGAGGCGTTG
GTGTGCCAGTCGCTGATGCGAGCGGATACCTATACGCCGGTGAAAAATGCGCAGCGTCTT
AAGCCGGGAGCGGTGCATGTTCTTACGCACGATAGCGAAGGTTATTCTTTCGTTGAAAGC
CGCACGCTGACCACACCAGCCAGCAACCAATTGTTAGCGCTCCCGCGTGAACCGCTGCTG
GCATTGATTGATCGCTACCTTAATGCTCCGCTTGAGGATTTAGCGCCGCGCTTTGATACC
GTAGGAATTCCCTTGTCAGGCGGTCTGGATTCCAGCCTGGTAACGGCGCTCGCCAGTCGT
CATTTCAAAAAATTGAATACGTATTCGATTGGTACGGAACTCAGCAATGAGTTTGAGTTT
TCTCAACAGGTTGCTGATGCACTCGGTACACATCATCAGATGAAAATTCTGTCCGAAACT
GAAGTGATCAACGGCATCATCGAATCCATCTATTACAACGAAATATTTGACGGCTTATCC
GCTGAAATCCAATCCGGGTTGTTCAATGTCTATCGTCAGGCTCAGGGGCAGGTGTCTTGC
ATGCTCACCGGATATGGTTCCGACCTGCTCTTTGGCGGCATACTGAAACCAGGAGCGCAG
TATGACAATCCGAATCAGCTGCTTGCCGAGCAAGTGTACCGGACGCGTTGGACAGGGGAG
TTTGCTACCCACGGTGCTTCCTGTTACGGCATTGATATTCGCCACCCCTTCTGGAGCCAT
TCCCTAATCTCTCTATGTCATGCGCTACATCCTGATTACAAAATTTTCGACAACGAAGTC
AAAAACATCCTGCGTGAATACGCCGATTCGCTGCAATTGCTGCCGAAAGACATTGTCTGG
CGCAAGAAAATCGGCATTCACGAAGGTTCCTCCGTCAATCAGGCCTTTGCGAATGTTCTC
GGGTCAACGGTTGATAACTACCAGACCAAAAGTCGCTTTACCTACCGTGTTTATCAAGCC
TTCCTTCGTGGCCGTCTCTCCATTACAGATGTGACGCCCTCTCAGCTTAAAGATCTGATT
AAAAAGGATTAA
PF00733
Asn_synthase
function
ligase activity
function
ligase activity, forming carbon-nitrogen bonds
function
asparagine synthase (glutamine-hydrolyzing) activity
function
carbon-nitrogen ligase activity, with glutamine as amido-N-donor
function
catalytic activity
process
amino acid and derivative metabolism
process
aspartate family amino acid metabolism
process
physiological process
process
asparagine metabolism
process
asparagine biosynthesis
process
metabolism
process
cellular metabolism
process
amino acid 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