LIPID MAPS

Structure Database (LMSD)

Download as... MDLMOL SDF CSV TSV PNG SVG

Common Name

Methoxystearic acid

Systematic Name

2-Methoxyoctadecanoic acid

Synonyms

LM ID

LMFA01080039

Formula

C₁₉H₃₈O₃

Exact Mass

Calculate m/z

314.282096

Sum Composition

FA 19:0;O

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Callyspongia fallax (#469326)

Demospongiae (#6042)

New methoxylated fatty acids from the Caribbean sponge Callyspongia fallax.,
J Nat Prod, 2001

Pubmed ID: 11374956

String Representations

InChiKey (Click to copy)

IRFCIZSKPMLDRJ-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C19H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(22-2)19(20)21/h18H,3-17H2,1-2H3,(H,20,21)

SMILES (Click to copy)

C(C(OC)CCCCCCCCCCCCCCCC)(=O)O

Other Databases

PubChem CID

21776028

Calculated Physicochemical Properties

Heavy Atoms 22

Rings

Aromatic Rings

Rotatable Bonds 17

Van der Waals Molecular Volume 360.99

Topological Polar Surface Area 46.53

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 3

logP 6.24

Molar Refractivity 93.87

Admin

Created at

6th Jun 2025

Updated at