LIPID MAPS

Structure Database (LMSD)

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Common Name

cis-17,18-methylene 24:0

Systematic Name

cis-17,18-methylene-tetracosanoic acid

Synonyms

LM ID

LMFA01140111

Formula

C₂₅H₄₈O₂

Exact Mass

Calculate m/z

380.36543

Sum Composition

FA 25:1

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

QCRRXUXCPKRPFU-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C25H48O2/c1-2-3-4-16-19-23-22-24(23)20-17-14-12-10-8-6-5-7-9-11-13-15-18-21-25(26)27/h23-24H,2-22H2,1H3,(H,26,27)

SMILES (Click to copy)

C(CCCCCCCCCCCCCCCC1CC1CCCCCC)(=O)O

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

unclassified Penares (#2630499)

Demospongiae (#6042)

9-Chloro-5,9-dienoic and Other Fatty Acids from Marine Sponge Penares sp.,
Russ J Bioorg Chem, 2024

DOI: 10.1134/S1068162024020249

Calculated Physicochemical Properties

Heavy Atoms 27

Rings 1

Aromatic Rings

Rotatable Bonds 21

Van der Waals Molecular Volume 443.64

Topological Polar Surface Area 37.30

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 8.53

Molar Refractivity 117.25

Admin

Created at

26th Apr 2024

Updated at