LIPID MAPS

Structure Database (LMSD)

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Systematic Name

(Z)-13-Methyltetradec-4-enoic acid

Synonyms

LM ID

LMFA01020445

Formula

C₁₅H₂₈O₂

Exact Mass

Calculate m/z

240.20893

Sum Composition

FA 15:1

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

ZSGGBTWUFCJULA-CLFYSBASSA-N

InChi (Click to copy)

InChI=1S/C15H28O2/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15(16)17/h7,9,14H,3-6,8,10-13H2,1-2H3,(H,16,17)/b9-7-

SMILES (Click to copy)

C(CC/C=C\CCCCCCCC(C)C)(=O)O

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Olleya marilimosa (#272164)

Flavobacteriia (#117743)

A marine-derived fatty acid targets the cell membrane of Gram-positive bacteria.,
J Bacteriol, 2023

Pubmed ID: 37905811

Other Databases

PubChem CID

92034197

Calculated Physicochemical Properties

Heavy Atoms 17

Rings

Aromatic Rings

Rotatable Bonds 11

Van der Waals Molecular Volume 280.36

Topological Polar Surface Area 37.30

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 4.79

Molar Refractivity 73.17

Admin

Created at

20th Dec 2023

Updated at