Structure database (LMSD)

MDLMOL SDF CSV TSV MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM ID	LMFA01030361
Common Name	10E-nonadecenoic acid
Systematic Name	10E-nonadecenoic acid
Synonyms	C19:1n-9
Exact Mass	296.2715 (neutral)    Calculate m/z: (Select m/z)[M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- M(neutral)
Formula	C19H36O2
Category	Fatty Acyls [FA]
Main Class	Fatty Acids and Conjugates [FA01]
Sub Class	Unsaturated fatty acids [FA0103]
LIPIDAT ID	7576
PubChem CID	5312512
InChIKey	BBOWBNGUEWHNQZ-MDZDMXLPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI	InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h9-10H, 2-8,11-18H2,1H3,(H,20,21)/b10-9+
SMILES	C(CCCCCCCC/C=C/CCCCCCCC)(=O)O
MS Spectra	-
Status	Active
Calculated physicochemical properties (?):
Heavy Atoms 21 Rings 0 Aromatic Rings 0 Rotatable Bonds 16   van der Waals Molecular Volume 349.56 Topological Polar Surface Area 37.30 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 2   logP 6.50 Molar Refractivity 91.70