LIPID MAPS

Structure Database (LMSD)

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Systematic Name

14-Methyl-6Z-hexadecenoic acid

Synonyms

LM ID

LMFA01031365

Formula

C₁₇H₃₂O₂

Exact Mass

Calculate m/z

268.240231

Sum Composition

FA 17:1

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Homo sapiens (#9606)

Mammalia (#40674)

A Facile Workflow for Sebum Fatty Acids and Squalene Identification via Advanced Lipidomic Methodologies.,
Anal Chem, 2025

Pubmed ID: 40314595

String Representations

InChiKey (Click to copy)

GGCNHOYDBKMNDI-ALCCZGGFSA-N

InChi (Click to copy)

InChI=1S/C17H32O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h5,7,16H,3-4,6,8-15H2,1-2H3,(H,18,19)/b7-5-

SMILES (Click to copy)

C(CCCC/C=C\CCCCCCC(C)CC)(=O)O

Other Databases

PubChem CID

92034498

Calculated Physicochemical Properties

Heavy Atoms 19

Rings

Aromatic Rings

Rotatable Bonds 13

Van der Waals Molecular Volume 314.96

Topological Polar Surface Area 37.30

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 5.57

Molar Refractivity 82.40

Admin

Created at

30th May 2025

Updated at