LIPID MAPS

Structure Database (LMSD)

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Systematic Name

2-methoxy-13-methyl-6Z-tetradecenoic acid

Synonyms

LM ID

LMFA01080042

Formula

C₁₆H₃₀O₃

Exact Mass

Calculate m/z

270.219496

Sum Composition

FA 16:1;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)

JLTGHGXRJSAWBG-ALCCZGGFSA-N

InChi (Click to copy)

InChI=1S/C16H30O3/c1-14(2)12-10-8-6-4-5-7-9-11-13-15(19-3)16(17)18/h5,7,14-15H,4,6,8-13H2,1-3H3,(H,17,18)/b7-5-

SMILES (Click to copy)

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

Other Databases

PubChem CID

10967595

Calculated Physicochemical Properties

Heavy Atoms 19

Rings

Aromatic Rings

Rotatable Bonds 12

Van der Waals Molecular Volume 306.45

Topological Polar Surface Area 46.53

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 3

logP 4.71

Molar Refractivity 79.86

Admin

Created at

6th Jun 2025

Updated at