Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02448"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"N-Tridecanoic Acid"
|
| rdf:type | |
| drugbank:description |
"
638-53-9
experimental
This compound belongs to the straight chain fatty acids. These are fatty acids with a straight aliphatic chain.
Straight Chain Fatty Acids
Organic Compounds
Lipids
Fatty Acids and Conjugates
Straight Chain Fatty Acids
Polyamines
Enolates
Carboxylic Acids
enolate
polyamine
carboxylic acid
carboxylic acid derivative
logP
5.57
ALOGPS
logS
-4.7
ALOGPS
Water Solubility
3.91e-03 g/l
ALOGPS
logP
4.92
ChemAxon
IUPAC Name
tridecanoic acid
ChemAxon
Traditional IUPAC Name
N-tridecanoic acid
ChemAxon
Molecular Weight
214.3443
ChemAxon
Monoisotopic Weight
214.193280076
ChemAxon
SMILES
CCCCCCCCCCCCC(O)=O
ChemAxon
Molecular Formula
C13H26O2
ChemAxon
InChI
InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)
ChemAxon
InChIKey
InChIKey=SZHOJFHSIKHZHA-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
37.3
ChemAxon
Refractivity
63.28
ChemAxon
Polarizability
27.95
ChemAxon
Rotatable Bond Count
11
ChemAxon
H Bond Acceptor Count
2
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest acidic)
4.95
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
Water Solubility
33 mg/L (at 20 °C)
YALKOWSKY,SH & DANNENFELSER,RM (1992)
Melting Point
44.5 °C
PhysProp
Boiling Point
312.4 °C
PhysProp
ChEBI
45919
PubChem Compound
12530
PubChem Substance
46505422
ChemSpider
12013
PDB
TDA
BE0001640
Phospholipase A2, membrane associated
Human
# 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 A2, membrane associated
Involved in phospholipase A2 activity
Thought to participate in the regulation of the phospholipid metabolism in biomembranes including eicosanoid biosynthesis. Catalyzes the calcium-dependent hydrolysis of the 2- acyl groups in 3-sn-phosphoglycerides
PLA2G2A
1p35
Membrane; peripheral membrane protein
None
9.51
16083.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:9031
GenAtlas
PLA2G2A
GeneCards
PLA2G2A
GenBank Gene Database
M22430
GenBank Protein Database
190889
UniProtKB
P14555
UniProt Accession
PA2GA_HUMAN
EC 3.1.1.4
GIIC sPLA2
Group IIA phospholipase A2
Non-pancreatic secretory phospholipase A2
NPS-PLA2
Phosphatidylcholine 2-acylhydrolase
Phospholipase A2, membrane associated precursor
>Phospholipase A2, membrane associated precursor
MKTLLLLAVIMIFGLLQAHGNLVNFHRMIKLTTGKEAALSYGFYGCHCGVGGRGSPKDAT
DRCCVTHDCCYKRLEKRGCGTKFLSYKFSNSGSRITCAKQDSCRSQLCECDKAAATCFAR
NKTTYNKKYQYYSNKHCRGSTPRC
>435 bp
ATGAAGACCCTCCTACTGTTGGCAGTGATCATGATCTTTGGCCTACTGCAGGCCCATGGG
AATTTGGTGAATTTCCACAGAATGATCAAGTTGACGACAGGAAAGGAAGCCGCACTCAGT
TATGGCTTCTACGGCTGCCACTGTGGCGTGGGTGGCAGAGGATCCCCCAAGGATGCAACG
GATCGCTGCTGTGTCACTCATGACTGTTGCTACAAACGTCTGGAGAAACGTGGATGTGGC
ACCAAATTTCTGAGCTACAAGTTTAGCAACTCGGGGAGCAGAATCACCTGTGCAAAACAG
GACTCCTGCAGAAGTCAACTGTGTGAGTGTGATAAGGCTGCTGCCACCTGTTTTGCTAGA
AACAAGACGACCTACAATAAAAAGTACCAGTACTATTCCAATAAACACTGCAGAGGGAGC
ACCCCTCGTTGCTGA
PF00068
Phospholip_A2_1
function
ion binding
function
cation binding
function
calcium ion binding
function
hydrolase activity, acting on ester bonds
function
binding
function
carboxylic ester hydrolase activity
function
lipase activity
function
catalytic activity
function
phospholipase activity
function
phospholipase A2 activity
function
hydrolase activity
process
primary metabolism
process
lipid metabolism
process
physiological process
process
metabolism
process
lipid catabolism
BE0003997
Phospholipase A2
Human
# 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 A2
Involved in bile acid binding
PA2 catalyzes the calcium-dependent hydrolysis of the 2- acyl groups in 3-sn-phosphoglycerides
PLA2G1B
12q23-q24.1
Secreted
None
7.91
16359.5
Human
HUGO Gene Nomenclature Committee (HGNC)
GNC:9030
GeneCards
PLA2G1B
GenBank Gene Database
M21054
GenBank Protein Database
190013
UniProtKB
P04054
UniProt Accession
PA21B_HUMAN
Group IB phospholipase A2
Phosphatidylcholine 2-acylhydrolase
>Phospholipase A2
MKLLVLAVLLTVAAADSGISPRAVWQFRKMIKCVIPGSDPFLEYNNYGCYCGLGGSGTPV
DELDKCCQTHDNCYDQAKKLDSCKFLLDNPYTHTYSYSCSGSAITCSSKNKECEAFICNC
DRNAAICFSKAPYNKAHKNLDTKKYCQS
>447 bp
ATGAAACTCCTTGTGCTAGCTGTGCTGCTCACAGTGGCCGCCGCCGACAGCGGCATCAGC
CCTCGGGCCGTGTGGCAGTTCCGCAAAATGATCAAGTGCGTGATCCCGGGGAGTGACCCC
TTCTTGGAATACAACAACTACGGCTGCTACTGTGGCTTGGGGGGCTCAGGCACCCCCGTG
GATGAACTGGACAAGTGCTGCCAGACACATGACAACTGCTATGACCAGGCCAAGAAGCTG
GACAGCTGTAAATTTCTGCTGGACAACCCGTACACCCACACCTATTCATACTCGTGCTCT
GGCTCGGCAATCACCTGTAGCAGCAAAAACAAAGAGTGTGAGGCCTTCATTTGCAACTGC
GACCGCAACGCTGCCATCTGCTTTTCAAAAGCTCCATATAACAAGGCACACAAGAACCTG
GACACCAAGAAGTATTGTCAGAGTTGA
PF00068
Phospholip_A2_1
function
cation binding
function
calcium ion binding
function
hydrolase activity, acting on ester bonds
function
binding
function
carboxylic ester hydrolase activity
function
lipase activity
function
catalytic activity
function
phospholipase activity
function
phospholipase A2 activity
function
hydrolase activity
function
ion binding
process
primary metabolism
process
lipid metabolism
process
physiological process
process
metabolism
process
lipid catabolism
BE0003768
Group IIE secretory phospholipase A2
Human
# 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
Group IIE secretory phospholipase A2
Involved in calcium ion binding
PA2 catalyzes the calcium-dependent hydrolysis of the 2- acyl groups in 3-sn-phosphoglycerides. Has a preference for arachidonic-containing phospholipids
PLA2G2E
1p36.13
Secreted
None
8.28
15988.5
Human
HUGO Gene Nomenclature Committee (HGNC)
GNC:13414
GeneCards
PLA2G2E
GenBank Gene Database
AF189279
GenBank Protein Database
7108923
UniProtKB
Q9NZK7
UniProt Accession
PA2GE_HUMAN
GIIE sPLA2
Phosphatidylcholine 2-acylhydrolase GIIE
sPLA(2)-IIE
>Group IIE secretory phospholipase A2
MKSPHVLVFLCLLVALVTGNLVQFGVMIEKMTGKSALQYNDYGCYCGIGGSHWPVDQTDW
CCHAHDCCYGRLEKLGCEPKLEKYLFSVSERGIFCAGRTTCQRLTCECDKRAALCFRRNL
GTYNRKYAHYPNKLCTGPTPPC
PF00068
Phospholip_A2_1
function
cation binding
function
calcium ion binding
function
hydrolase activity, acting on ester bonds
function
binding
function
carboxylic ester hydrolase activity
function
lipase activity
function
catalytic activity
function
phospholipase activity
function
phospholipase A2 activity
function
hydrolase activity
function
ion binding
process
primary metabolism
process
lipid metabolism
process
physiological process
process
metabolism
process
lipid catabolism
"
|
| 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