Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB08376"
| Predicate | Value (sorted: none) |
|---|---|
| rdfs:label |
"(2R)-3-(phosphonooxy)propane-1,2-diyl diheptanoate"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the phosphatidic acids. These are glycerophosphates in which the glycerol moeity is bonded to two aliphatic chains through ester linkages.
Phosphatidic Acids
Organic Compounds
Lipids
Glycerophospholipids
Glycerophosphates
Fatty Acid Esters
Organophosphate Esters
Organic Phosphoric Acids
Dicarboxylic Acids and Derivatives
Carboxylic Acid Esters
Enolates
Ethers
Polyamines
fatty acid ester
phosphoric acid ester
dicarboxylic acid derivative
organic phosphate
carboxylic acid ester
enolate
ether
polyamine
carboxylic acid derivative
logP
2.77
ALOGPS
logS
-3.3
ALOGPS
Water Solubility
2.00e-01 g/l
ALOGPS
logP
3.88
ChemAxon
IUPAC Name
[(2R)-2,3-bis(heptanoyloxy)propoxy]phosphonic acid
ChemAxon
Traditional IUPAC Name
(2R)-2,3-bis(heptanoyloxy)propoxyphosphonic acid
ChemAxon
Molecular Weight
396.4129
ChemAxon
Monoisotopic Weight
396.191304544
ChemAxon
SMILES
[H][C@@](COC(=O)CCCCCC)(COP(O)(O)=O)OC(=O)CCCCCC
ChemAxon
Molecular Formula
C17H33O8P
ChemAxon
InChI
InChI=1S/C17H33O8P/c1-3-5-7-9-11-16(18)23-13-15(14-24-26(20,21)22)25-17(19)12-10-8-6-4-2/h15H,3-14H2,1-2H3,(H2,20,21,22)/t15-/m1/s1
ChemAxon
InChIKey
InChIKey=JAXUAGQDLYDLQB-OAHLLOKOSA-N
ChemAxon
Polar Surface Area (PSA)
119.36
ChemAxon
Refractivity
95.75
ChemAxon
Polarizability
42.29
ChemAxon
Rotatable Bond Count
18
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
1.32
ChemAxon
pKa (strongest basic)
-6.7
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
23629653
PubChem Substance
99444847
ChemSpider
24700518
PDB
PD7
BE0004291
Phospholipase D
Streptomyces antibioticus
# 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
Phospholipase D
Involved in NAPE-specific phospholipase D activity
A phosphatidylcholine + H(2)O = choline + a phosphatidate
Secreted
None
6.39
58931.5
Streptomyces antibioticus
GenBank Gene Database
D16444
GenBank Protein Database
517155
UniProtKB
Q53728
UniProt Accession
PLD_STRAT
Choline phosphatase
>Phospholipase D
MTSDQRPARLPTHKGKLLAPHRLHRLIPVSVALTTVCAALPSSTAYAADTPPTPHLDAIE
RSLRDTSPGLEGSVWQRTDGNRLDAPDGDPAGWLLQTPGCWGDAGCKDRAGTRRLLDKMT
RNIADARHTVDISSLAPFPNGGFEDAVVDGLKAVVAAGHSPRVRILVGAAPIYHLNVVPS
RYRDELIGKLGAAAGKVTLNVASMTTSKTSLSWNHSKLLVVDGKTAITGGINGWKDDYLD
TAHPVSDVDMALSGPAAASAGKYLDTLWDWTCRNASDPAKVWLATSNGASCMPSMEQDEA
GSAPAEPTGDVPVIAVGGLGVGIKESDPSSGYHPDLPTAPDTKCTVGLHDNTNADRDYDT
VNPEENALRSLIASARSHVEISQQDLNATCPPLPRYDIRTYDTLAGKLAAGVKVRIVVSD
PANRGAVGSGGYSQIKSLDEISDTLRTRLVALTGDNEKASRALCGNLQLASFRSSDAAKW
ADGKPYALHHKLVSVDDSAFYIGSKNLYPAWLQDFGYIVESPAAAQQLKTELLDPEWKYS
QQAAATPAGCPARQAG
>1671 bp
ATGACCAGTGATCAGCGCCCGGCTCGCCTCCCCACGCACAAAGGCAAGCTCTTGGCTCCT
CACCGACTCCACCGCCTGATACCGGTGTCCGTCGCCCTGACGACCGTGTGCGCGGCACTG
CCGTCCTCGACGGCCTACGCCGCGGACACACCGCCCACCCCCCATCTGGACGCCATCGAG
CGGTCGCTGCGCGACACCTCCCCCGGCCTCGAAGGCTCGGTGTGGCAGCGCACGGACGGC
AACCGCCTGGACGCCCCGGACGGCGACCCCGCCGGCTGGCTGCTGCAGACCCCCGGCTGC
TGGGGCGACGCCGGCTGCAAGGACCGCGCCGGCACCCGGCGGCTGCTCGACAAGATGACC
CGCAACATCGCCGACGCCCGGCACACCGTGGACATCTCCTCGCTGGCCCCCTTCCCCAAC
GGCGGGTTCGAGGACGCGGTCGTCGACGGCCTCAAGGCGGTCGTCGCGGCGGGGCACTCC
CCGCGGGTGCGCATCCTGGTCGGCGCCGCCCCGATCTACCACCTCAACGTGGTGCCGTCC
CGCTACCGCGACGAGCTGATCGGCAAGCTCGGCGCGGCGGCCGGCAAGGTCACGCTCAAC
GTCGCCTCGATGACCACGTCCAAGACGTCGCTCTCCTGGAACCACTCCAAGCTCCTCGTG
GTCGACGGGAAGACGGCCATCACGGGCGGGATCAACGGCTGGAAGGACGACTACCTCGAC
ACCGCCCACCCGGTGTCGGACGTGGACATGGCGCTCAGCGGCCCGGCCGCCGCCTCGGCG
GGGAAGTACCTCGACACCCTCTGGGACTGGACCTGCCGCAACGCGTCCGACCCGGCCAAG
GTGTGGCTCGCCACGTCGAACGGCGCCTCCTGCATGCCGTCGATGGAGCAGGACGAGGCG
GGATCCGCCCCCGCCGAGCCCACCGGTGACGTCCCCGTCATCGCGGTCGGCGGCCTCGGC
GTGGGCATCAAGGAGTCCGACCCCTCCTCGGGATACCACCCGGACCTGCCGACGGCCCCG
GACACCAAGTGCACCGTGGGGCTGCACGACAACACCAACGCCGACCGCGACTACGACACG
GTCAACCCCGAGGAGAACGCGCTGCGTTCGCTCATCGCCAGCGCGCGCAGCCACGTCGAG
ATCTCCCAGCAGGACCTCAACGCCACCTGCCCGCCGTTGCCGCGCTACGACATCCGGACC
TACGACACCCTCGCGGGCAAGCTGGCCGCCGGGGTCAAGGTCCGCATCGTCGTCAGCGAT
CCCGCCAACCGCGGCGCCGTCGGCAGCGGGGGCTACTCCCAGATCAAGTCCCTGGACGAG
ATCAGCGACACCCTCCGCACGCGTCTCGTCGCCCTGACCGGCGACAACGAGAAGGCGTCG
CGGGCCCTGTGCGGCAACCTGCAGCTCGCCTCGTTCCGCAGCTCGGACGCCGCGAAGTGG
GCCGACGGCAAGCCGTACGCGCTGCACCACAAGCTGGTGTCGGTGGACGACTCGGCGTTC
TACATCGGCTCCAAGAACCTCTACCCGGCCTGGCTGCAGGACTTCGGCTACATCGTCGAG
AGCCCCGCCGCGGCCCAGCAGCTCAAGACCGAGCTGCTCGACCCGGAGTGGAAGTACTCC
CAGCAGGCGGCGGCCACCCCGGCCGGCTGCCCGGCTCGCCAGGCGGGCTGA
PF00614
PLDc
function
catalytic activity
process
metabolism
process
physiological process
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object