TDA

N-TRIDECANOIC ACID

Created: 1999-09-01
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count0
Bond Count40
Aromatic Bond Count0
2D diagram of TDA

Chemical Component Summary

NameN-TRIDECANOIC ACID
Systematic Name (OpenEye OEToolkits)tridecanoic acid
FormulaC13 H26 O2
Molecular Weight214.344
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)CCCCCCCCCCCC
SMILESCACTVS3.341CCCCCCCCCCCCC(O)=O
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCCCCC(=O)O
Canonical SMILESCACTVS3.341 CCCCCCCCCCCCC(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 CCCCCCCCCCCCC(=O)O
InChIInChI1.03 InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)
InChIKeyInChI1.03 SZHOJFHSIKHZHA-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB02448 
NameN-Tridecanoic Acid
Groups experimental
SynonymsN-Tridecanoic Acid
CAS number638-53-9

Drug Targets

NameTarget SequencePharmacological ActionActions
Phospholipase A2MKLLVLAVLLTVAAADSGISPRAVWQFRKMIKCVIPGSDPFLEYNNYGCY...unknowninhibitor
Phospholipase A2, membrane associatedMKTLLLLAVIMIFGLLQAHGNLVNFHRMIKLTTGKEAALSYGFYGCHCGV...unknowninhibitor
Group IIE secretory phospholipase A2MKSPHVLVFLCLLVALVTGNLVQFGVMIEKMTGKSALQYNDYGCYCGIGG...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 12530
ChEMBL CHEMBL107874
ChEBI CHEBI:45919
CCDC/CSD TRDECA02, TRDECA01, IDAQEK
COD 7050153, 7203243