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	LMFA01030058
Common Name	cis-10-palmitoleic acid
Systematic Name	10Z-hexadecenoic acid
Synonyms	cis-10-hexadecenoic acid; C16:1n-6
Exact Mass	254.2246 (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	C16H30O2
Category	Fatty Acyls [FA]
Main Class	Fatty Acids and Conjugates [FA01]
Sub Class	Unsaturated fatty acids [FA0103]
LIPIDBANK ID	DFA0097
PubChem CID	5282746
PlantFA ID	10402
InChIKey	HZJHNXIAYMADBX-SREVYHEPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI	InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h6-7H,2-5,8-15H2 ,1H3,(H,17,18)/b7-6-
SMILES	C(CCCCCCC(=O)O)C/C=C\CCCCC
MS Spectra	-
Status	Active
Calculated physicochemical properties (?):
Heavy Atoms 18 Rings 0 Aromatic Rings 0 Rotatable Bonds 13   van der Waals Molecular Volume 297.66 Topological Polar Surface Area 37.30 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 2   logP 5.33 Molar Refractivity 77.85