LIPID MAPS

Structure Database (LMSD)

Download as... MDLMOL SDF CSV TSV PNG

Common Name

cis-13,14-methylene-heptadecanoic acid

Systematic Name

cis-13,14-methylene-heptadecanoic acid

Synonyms

cis-13,14 MHD

LM ID

LMFA01140112

Formula

C₁₈H₃₄O₂

Exact Mass

Calculate m/z

282.25588

Sum Composition

FA 18:1

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

BJUOWJHYDRAYTQ-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C18H34O2/c1-2-12-16-15-17(16)13-10-8-6-4-3-5-7-9-11-14-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)

SMILES (Click to copy)

C(CCCCCCCCCCCC1CC1CCC)(=O)O

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Sus scrofa (#9823)

Mammalia (#40674)

Novel odd-chain cyclopropane fatty acids: detection in a mammalian lipidome and uptake by hepatosplanchnic tissues.,
J Lipid Res, 2024

Pubmed ID: 39182606

Calculated Physicochemical Properties

Heavy Atoms 20

Rings 1

Aromatic Rings 0

Rotatable Bonds 14

Van der Waals Molecular Volume 322.54

Topological Polar Surface Area 37.30

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 5.80

Molar Refractivity 84.93

Admin

Created at

30th Aug 2024

Updated at