LIPID MAPS

Structure Database (LMSD)

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Systematic Name

2-methoxy-6Z-tetradecenoic acid

Synonyms

LM ID

LMFA01080040

Formula

C₁₅H₂₈O₃

Exact Mass

Calculate m/z

256.203846

Sum Composition

FA 15:1;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)

GEIRCFOBQDWARB-KTKRTIGZSA-N

InChi (Click to copy)

InChI=1S/C15H28O3/c1-3-4-5-6-7-8-9-10-11-12-13-14(18-2)15(16)17/h9-10,14H,3-8,11-13H2,1-2H3,(H,16,17)/b10-9-

SMILES (Click to copy)

C(C(OC)CCC/C=C\CCCCCCC)(=O)O

Other Databases

PubChem CID

11032508

Calculated Physicochemical Properties

Heavy Atoms 18

Rings

Aromatic Rings

Rotatable Bonds 12

Van der Waals Molecular Volume 289.15

Topological Polar Surface Area 46.53

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 3

logP 4.46

Molar Refractivity 75.31

Admin

Created at

6th Jun 2025

Updated at