Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03979"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"1-[Glycerolylphosphonyl]-2-[8-(2-Hexyl-Cyclopropyl)-Octanal-1-Yl]-3-[Hexadecanal-1-Yl]-Glycerol"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the phosphatidylglycerols. These are glycerophosphoglycerols in which two fatty acids are bonded to the 1-glycerol moiety through ester linkages.
Phosphatidylglycerols
Organic Compounds
Lipids
Glycerophospholipids
Glycerophosphoglycerols
Monosaccharide Phosphates
Fatty Acid Esters
Trioses
Dicarboxylic Acids and Derivatives
Organophosphate Esters
Organic Phosphoric Acids
Carboxylic Acid Esters
1,2-Diols
Secondary Alcohols
Enolates
Ethers
Primary Alcohols
Polyamines
monosaccharide phosphate
fatty acid ester
monosaccharide
dicarboxylic acid derivative
triose monosaccharide
saccharide
organic phosphate
phosphoric acid ester
1,2-diol
carboxylic acid ester
secondary alcohol
ether
enolate
polyamine
carboxylic acid derivative
primary alcohol
alcohol
logP
7.7
ALOGPS
logS
-6.8
ALOGPS
Water Solubility
1.27e-04 g/l
ALOGPS
logP
10.6
ChemAxon
IUPAC Name
[(2S)-2,3-dihydroxypropoxy][(2S)-3-(hexadecanoyloxy)-2-({8-[(1R,2R)-2-hexylcyclopropyl]octanoyl}oxy)propoxy]phosphinic acid
ChemAxon
Traditional IUPAC Name
(2S)-2,3-dihydroxypropoxy(2S)-3-(hexadecanoyloxy)-2-({8-[(1R,2R)-2-hexylcyclopropyl]octanoyl}oxy)propoxyphosphinic acid
ChemAxon
Molecular Weight
734.9806
ChemAxon
Monoisotopic Weight
734.509785132
ChemAxon
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](O)(=O)OC[C@@H](O)CO)OC(=O)CCCCCCC[C@@H]1C[C@H]1CCCCCC
ChemAxon
Molecular Formula
C39H75O10P
ChemAxon
InChI
InChI=1S/C39H75O10P/c1-3-5-7-9-10-11-12-13-14-15-16-19-23-27-38(42)46-32-37(33-48-50(44,45)47-31-36(41)30-40)49-39(43)28-24-20-17-18-22-26-35-29-34(35)25-21-8-6-4-2/h34-37,40-41H,3-33H2,1-2H3,(H,44,45)/t34-,35-,36+,37+/m1/s1
ChemAxon
InChIKey
InChIKey=JWIOKCJPLNKYBQ-MDOFDWFASA-N
ChemAxon
Polar Surface Area (PSA)
148.82
ChemAxon
Refractivity
198
ChemAxon
Polarizability
88.62
ChemAxon
Rotatable Bond Count
39
ChemAxon
H Bond Acceptor Count
6
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
1.89
ChemAxon
pKa (strongest basic)
-3
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
0
ChemAxon
PubChem Compound
46936853
PubChem Substance
46507734
PDB
DGG
BE0001704
Flavohemoprotein
Cupriavidus necator (strain ATCC 17699 / H16 / DSM 428 / Stanier 337)
# 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
Flavohemoprotein
Energy production and conversion
In the presence of oxygen and NADH, FHP has NADH oxidase activity, which leads to the generation of superoxide and H(2)O(2), both in vitro and in vivo, and it has been suggested that FHP might act as an amplifier of superoxide stress. Under anaerobic conditions, FHP also exhibits nitric oxide reductase and FAD reductase activities. However, all these reactions are much lower than NOD activity
hmp
Cytoplasm
None
5.57
44783.0
Cupriavidus necator (strain ATCC 17699 / H16 / DSM 428 / Stanier 337)
GenBank Gene Database
X74334
GenBank Protein Database
460999
UniProtKB
P39662
UniProt Accession
HMP_CUPNH
EC 1.14.12.17
FHP
Flavohemoglobin
Hemoglobin-like protein
Nitric oxide dioxygenase
NO oxygenase
NOD
>Flavohemoprotein
MLTQKTKDIVKATAPVLAEHGYDIIKCFYQRMFEAHPELKNVFNMAHQEQGQQQQALARA
VYAYAENIEDPNSLMAVLKNIANKHASLGVKPEQYPIVGEHLLAAIKEVLGNAATDDIIS
AWAQAYGNLADVLMGMESELYERSAEQPGGWKGWRTFVIREKRPESDVITSFILEPADGG
PVVNFEPGQYTSVAIDVPALGLQQIRQYSLSDMPNGRSYRISVKREGGGPQPPGYVSNLL
HDHVNVGDQVKLAAPYGSFHIDVDAKTPIVLISGGVGLTPMVSMLKVALQAPPRQVVFVH
GARNSAVHAMRDRLREAAKTYENLDLFVFYDQPLPEDVQGRDYDYPGLVDVKQIEKSILL
PDADYYICGPIPFMRMQHDALKNLGIHEARIHYEVFGPDLFAE
>1212 bp
ATGCTGACCCAGAAAACAAAAGACATCGTAAAGGCCACCGCACCGGTGCTGGCCGAACAC
GGCTACGACATCATCAAGTGCTTCTATCAGCGCATGTTCGAAGCGCATCCCGAACTGAAG
AATGTGTTCAACATGGCCCACCAGGAACAGGGCCAGCAGCAGCAGGCGCTGGCACGGGCG
GTCTATGCCTATGCGGAGAATATCGAGGACCCAAACAGTCTGATGGCCGTCCTGAAGAAC
ATCGCCAACAAGCATGCAAGTCTCGGCGTCAAACCGGAACAGTACCCCATTGTTGGAGAA
CACCTACTGGCCGCCATCAAGGAAGTGTTGGGCAATGCCGCAACCGACGACATCATTTCC
GCTTGGGCGCAAGCCTACGGGAATCTGGCCGATGTCCTGATGGGCATGGAGAGCGAGTTG
TATGAGCGCTCTGCGGAACAACCCGGTGGCTGGAAGGGGTGGCGCACCTTTGTGATTCGT
GAGAAGCGCCCCGAGAGCGATGTGATCACGTCATTCATCCTTGAGCCTGCCGATGGTGGT
CCCGTGGTGAACTTCGAACCCGGACAATACACCAGCGTCGCAATCGATGTGCCCGCGCTC
GGGTTGCAGCAGATTCGCCAATACAGCCTGTCGGATATGCCGAACGGGCGCACGTATCGC
ATCTCGGTGAAGCGCGAGGGCGGCGGGCCGCAGCCTCCGGGCTATGTTTCGAACCTGTTG
CATGATCACGTGAATGTTGGGGATCAGGTCAAGCTGGCTGCGCCCTATGGAAGCTTCCAT
ATCGACGTTGACGCCAAGACACCCATTGTCCTGATCAGCGGTGGCGTTGGGCTGACACCG
ATGGTCAGCATGCTCAAAGTGGCATTGCAGGCCCCACCGAGGCAAGTTGTATTCGTGCAT
GGCGCACGTAACAGCGCAGTACACGCGATGCGCGACAGGCTGCGCGAAGCGGCGAAGACC
TATGAAAACCTTGACCTCTTTGTTTTCTATGACCAACCGCTACCGGAAGATGTCCAGGGA
CGGGACTATGATTATCCGGGCTTAGTCGATGTGAAGCAGATCGAGAAATCGATCCTGCTG
CCAGACGCCGACTACTACATCTGCGGTCCGATTCCGTTCATGCGAATGCAGCATGATGCC
CTGAAGAATCTCGGCATTCATGAGGCACGCATTCATTACGAAGTGTTTGGTCCCGACCTG
TTTGCTGAGTAG
PF00175
NAD_binding_1
PF00042
Globin
PF00970
FAD_binding_6
function
catalytic activity
function
oxidoreductase activity
function
tetrapyrrole binding
function
heme binding
function
binding
process
gas transport
process
cellular physiological process
process
oxygen transport
process
metabolism
process
cellular metabolism
process
generation of precursor metabolites and energy
process
electron transport
process
transport
process
physiological process
"
|
| 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