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	LMFA01080010
Common Name	(R)-2-methoxyhexadecanoic acid
Systematic Name	2R-methoxyhexadecanoic acid
Synonyms	-
Exact Mass	286.2508 (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	C17H34O3
Category	Fatty Acyls [FA]
Main Class	Fatty Acids and Conjugates [FA01]
Sub Class	Methoxy fatty acids [FA0108]
PubChem CID	10913147
CHEBI ID	38244
InChIKey	YNBIUHDYZWCBSF-MRXNPFEDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI	InChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(20-2)17(18)19/h16H,3-15H 2,1-2H3,(H,18,19)/t16-/m1/s1
SMILES	O=C(O)[C@H](OC)CCCCCCCCCCCCCC
MS Spectra	-
Status	Active
Calculated physicochemical properties (?):
Heavy Atoms 20 Rings 0 Aromatic Rings 0 Rotatable Bonds 15   van der Waals Molecular Volume 326.39 Topological Polar Surface Area 46.53 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3   logP 5.46 Molar Refractivity 84.64