Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02625"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(2r)-2-{[Formyl(Hydroxy)Amino]Methyl}Hexanoic Acid"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the amino fatty acids. These are fatty acids contaning an amine group.
Amino Fatty Acids
Organic Compounds
Lipids
Fatty Acids and Conjugates
Amino Fatty Acids
Branched Fatty Acids
Enolates
Carboxylic Acids
Polyamines
carboxylic acid derivative
enolate
carboxylic acid
polyamine
amine
organonitrogen compound
logP
0.38
ALOGPS
logS
-1.1
ALOGPS
Water Solubility
1.64e+01 g/l
ALOGPS
logP
0.73
ChemAxon
IUPAC Name
(2S)-2-[(N-hydroxyformamido)methyl]hexanoic acid
ChemAxon
Traditional IUPAC Name
(2S)-2-[(N-hydroxyformamido)methyl]hexanoic acid
ChemAxon
Molecular Weight
189.209
ChemAxon
Monoisotopic Weight
189.100107973
ChemAxon
SMILES
CCCC[C@@H](CN(O)C=O)C(O)=O
ChemAxon
Molecular Formula
C8H15NO4
ChemAxon
InChI
InChI=1S/C8H15NO4/c1-2-3-4-7(8(11)12)5-9(13)6-10/h6-7,13H,2-5H2,1H3,(H,11,12)/t7-/m0/s1
ChemAxon
InChIKey
InChIKey=NOSUUIPGNMAALM-ZETCQYMHSA-N
ChemAxon
Polar Surface Area (PSA)
77.84
ChemAxon
Refractivity
45.8
ChemAxon
Polarizability
19.17
ChemAxon
Rotatable Bond Count
6
ChemAxon
H Bond Acceptor Count
4
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
4.4
ChemAxon
pKa (strongest basic)
-5.7
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
22096207
PubChem Substance
46504579
ChemSpider
11388715
PDB
BRR
BE0002810
Formylmethionine deformylase, putative
Plasmodium falciparum (isolate 3D7)
unknown
Formylmethionine deformylase, putative
Involved in iron ion binding
PFI0380c
Cytoplasmic
None
9.88
28395.0
Plasmodium falciparum (isolate 3D7)
GenBank Gene Database
AL929356
UniProtKB
Q8I372
UniProt Accession
Q8I372_PLAF7
EC 3.5.1.31
>Formylmethionine deformylase, putative
MLMYYSLFLFNLIICCNVTSIYGYIHNVRSLEPYIKNDQIKNYSSNIKQKRKGSLYLLKN
EKDEIKIVKYPDPILRRRSEEVTNFDDNLKRVVRKMFDIMYESKGIGLSAPQVNISKRII
VWNALYEKRKEENERIFINPSIVEQSLVKLKLIEGCLSFPGIEGKVERPSIVSISYYDIN
GYKHLKILKGIHSRIFQHEFDHLNGTLFIDKMTQVDKKKVRPKLNELIRDYKATHSEEPA
L
>726 bp
ATGTTGATGTATTATTCACTTTTCCTTTTTAATTTAATAATATGTTGTAATGTTACAAGT
ATTTATGGATATATACACAATGTTAGATCACTTGAACCATATATAAAAAATGATCAGATA
AAAAATTATAGTAGTAATATAAAACAAAAGAGAAAAGGCTCTTTATATTTATTAAAAAAT
GAAAAGGATGAGATAAAAATCGTCAAGTACCCGGACCCTATATTAAGGCGACGAAGTGAA
GAAGTCACAAATTTTGATGATAATTTGAAGAGAGTTGTGAGAAAAATGTTTGATATTATG
TACGAGAGCAAAGGTATTGGTTTGTCTGCACCACAAGTAAATATAAGCAAACGAATTATT
GTATGGAATGCATTATATGAAAAAAGAAAAGAAGAAAATGAACGAATATTTATTAATCCG
TCCATAGTAGAACAGAGTCTAGTTAAATTAAAATTAATAGAAGGATGTTTATCATTTCCT
GGAATAGAAGGAAAAGTTGAACGACCTAGTATAGTATCTATATCATATTATGATATTAAT
GGATATAAACATTTAAAAATTTTGAAAGGTATACATTCTAGAATATTTCAACATGAATTT
GATCATCTTAATGGTACATTATTTATTGATAAAATGACACAAGTCGATAAAAAAAAAGTA
AGACCAAAACTTAACGAGCTAATTAGGGATTATAAGGCTACTCACTCAGAAGAACCAGCC
CTATAA
PF01327
Pep_deformylase
function
catalytic activity
function
peptide deformylase activity
function
hydrolase activity
function
hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
function
hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amides
function
ion binding
function
cation binding
function
transition metal ion binding
function
binding
function
iron ion binding
process
macromolecule biosynthesis
process
protein biosynthesis
process
metabolism
process
macromolecule metabolism
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