Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04199"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"1-Monohexanoyl-2-Hydroxy-Sn-Glycero-3-Phosphate"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the lysophosphatidic acids. These are glycerophosphates where the glycerol is esterified with one fatty acid.
Lysophosphatidic Acids
Organic Compounds
Lipids
Glycerophospholipids
Glycerophosphates
Monoalk(en)ylglycerophosphates
Fatty Acid Esters
Organophosphate Esters
Organic Phosphoric Acids
Secondary Alcohols
Carboxylic Acid Esters
Ethers
Enolates
Polyamines
fatty acid ester
phosphoric acid ester
organic phosphate
carboxylic acid ester
secondary alcohol
carboxylic acid derivative
polyamine
ether
enolate
alcohol
logP
-0.03
ALOGPS
logS
-1.5
ALOGPS
Water Solubility
8.94e+00 g/l
ALOGPS
logP
0.51
ChemAxon
IUPAC Name
[(2S)-3-(hexanoyloxy)-2-hydroxypropoxy]phosphonic acid
ChemAxon
Traditional IUPAC Name
(2S)-3-(hexanoyloxy)-2-hydroxypropoxyphosphonic acid
ChemAxon
Molecular Weight
270.2167
ChemAxon
Monoisotopic Weight
270.086839474
ChemAxon
SMILES
[H][C@](O)(COC(=O)CCCCC)COP(O)(O)=O
ChemAxon
Molecular Formula
C9H19O7P
ChemAxon
InChI
InChI=1S/C9H19O7P/c1-2-3-4-5-9(11)15-6-8(10)7-16-17(12,13)14/h8,10H,2-7H2,1H3,(H2,12,13,14)/t8-/m0/s1
ChemAxon
InChIKey
InChIKey=FIMVTNBZKNVWDN-QMMMGPOBSA-N
ChemAxon
Polar Surface Area (PSA)
113.29
ChemAxon
Refractivity
58.97
ChemAxon
Polarizability
25.89
ChemAxon
Rotatable Bond Count
10
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
1.51
ChemAxon
pKa (strongest basic)
-3.4
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
657119
PubChem Substance
46506979
ChemSpider
571319
PDB
HHG
BE0001673
Lipoprotein MxiM
Shigella sonnei
# 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
Lipoprotein MxiM
Involved in the secretion of the Ipa antigens
mxiM
Cell outer membrane; lipid-anchor (Probable)
None
9.9
15853.0
Shigella sonnei
GenBank Gene Database
D50601
GenBank Protein Database
829069
UniProtKB
P0A1X3
UniProt Accession
MXIM_SHISO
Lipoprotein mxiM precursor
>Lipoprotein mxiM precursor
MIRHGSNKLKIFILSILLLTLSGCALKSSSNSEKEWHIVPVSKDYFSIPNDLLWSFNTTN
KSINVYSKCISGKAVYSFNAGKFMGNFNVKEVDGCFMDAQKIAIDKLFSMLKDGVVLKGN
KINDTILIEKDGEVKLKLIRGI
>429 bp
ATGATTCGACATGGTAGTAATAAGTTGAAAATATTTATTTTAAGTATATTGCTATTAACA
CTGAGTGGGTGTGCTTTAAAGTCATCATCTAATTCTGAAAAAGAATGGCATATTGTTCCT
GTAAGTAAGGATTATTTTTCTATTCCAAATGATTTATTATGGTCGTTTAATACAACCAAT
AAAAGTATAAATGTTTACTCTAAATGTATTAGTGGTAAGGCGGTTTATAGTTTTAATGCA
GGTAAATTCATGGGCAACTTTAATGTTAAGGAAGTAGATGGGTGCTTCATGGATGCACAA
AAGATAGCTATAGATAAACTATTTTCTATGCTGAAAGACGGGGTTGTTTTAAAAGGTAAT
AAGATAAATGATACCATCCTTATAGAGAAGGATGGGGAAGTTAAATTAAAATTAATTCGA
GGGATATAA
BE0004113
Lipoprotein MxiM
Shigella flexneri
# Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/10592235
unknown
Lipoprotein MxiM
Involved in pathogenesis
Involved in the secretion of the Ipa antigens
mxiM
Cell outer membrane
None
9.9
15852.5
Shigella flexneri
GeneCards
mxiM
GenBank Gene Database
M98391
GenBank Protein Database
152770
UniProtKB
P0A1X2
UniProt Accession
MXIM_SHIFL
>Lipoprotein mxiM
MIRHGSNKLKIFILSILLLTLSGCALKSSSNSEKEWHIVPVSKDYFSIPNDLLWSFNTTN
KSINVYSKCISGKAVYSFNAGKFMGNFNVKEVDGCFMDAQKIAIDKLFSMLKDGVVLKGN
KINDTILIEKDGEVKLKLIRGI
>429 bp
ATGATTCGACATGGTAGTAATAAGTTGAAAATATTTATTTTAAGTATATTGCTATTAACA
CTGAGTGGGTGTGCTTTAAAGTCATCATCTAATTCTGAAAAAGAATGGCATATTGTTCCT
GTAAGTAAGGATTATTTTTCTATTCCAAATGATTTATTATGGTCGTTTAATACAACCAAT
AAAAGTATAAATGTTTACTCTAAATGTATTAGTGGTAAGGCGGTTTATAGTTTTAATGCA
GGTAAATTCATGGGCAACTTTAATGTTAAGGAAGTAGATGGGTGCTTCATGGATGCACAA
AAGATAGCTATAGATAAACTATTTTCTATGCTGAAAGACGGGGTTGTTTTAAAAGGTAAT
AAGATAAATGATACCATCCTTATAGAGAAGGATGGGGAAGTTAAATTAAAATTAATTCGA
GGGATATAA
BE0004114
GrlR
Escherichia coli O157:H7
# Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/10592235
unknown
GrlR
ECs4578
None
4.85
13929.0
Escherichia coli O157:H7
GenBank Gene Database
AE005174
GenBank Protein Database
12512676
UniProtKB
Q7DB61
UniProt Accession
Q7DB61_ECO57
SubName: Putative uncharacterized protein
SubName: Putative uncharacterized protein ECs4578
>GrlR
MIMKDGIYSIIFISNEDSCGEGILIKNGNMITGGDIASVYQGVLSEDEDIILHVHRYNYE
IPSVLNIEQDYQLVIPKKVLSNDNNLTLHCHVRGNEKLFVDVYAKFIEPLVIKNTGMPQV
YLK
>84 bp
ATGAAACGCATTAGCACCACCATTACCACCACCATCACCACCACCATCACCATTACCATT
ACCACAGGTAACGGTGCGGGCTGA
"
|
| 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