Structure Database (LMSD)

Common Name
(R)-2-methoxyhexadecanoic acid
Systematic Name
2R-methoxyhexadecanoic acid
Synonyms
LM ID
LMFA01080010
Formula
C17H34O3
Exact Mass
Calculate m/z
286.250795
Sum Composition
FA 17:0;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Methoxy fatty acids [FA0108]

String Representations

InChiKey (Click to copy)
YNBIUHDYZWCBSF-MRXNPFEDSA-N
InChi (Click to copy)
InChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(20-2)17(18)19/h16H,3-15H2,1-2H3,(H,18,19)/t16-/m1/s1
SMILES (Click to copy)
O=C(O)[C@H](OC)CCCCCCCCCCCCCC

Other Databases

CHEBI ID
38244
PubChem CID
10913147

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

Admin

Created at
-
Updated at
-