Structure Database (LMSD)

Common Name
23-methyl-5Z,9Z-tetracosadienoic acid
Systematic Name
23-methyl-5Z,9Z-tetracosadienoic acid
Synonyms
LM ID
LMFA01020233
Formula
C25H46O2
Exact Mass
Calculate m/z
378.34978
Sum Composition
FA 25:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ircinia (#275431)
Demospongiae (#6042)
Comparative study of the fatty acid composition of sponges of the genus Ircinia. Identification of the new 23-methyl-5,9-tetracosadienoic acid.,
Comp Biochem Physiol B, 1991
Pubmed ID: 1814678

String Representations

InChiKey (Click to copy)
IFDKMNCNGRJPIB-UNNWTIKVSA-N
InChi (Click to copy)
InChI=1S/C25H46O2/c1-24(2)22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25(26)27/h7,9,15,17,24H,3-6,8,10-14,16,18-23H2,1-2H3,(H,26,27)/b9-7-,17-15-
SMILES (Click to copy)
C(CCC/C=C\CC/C=C\CCCCCCCCCCCCC(C)C)(=O)O

Other Databases

LIPIDAT ID
5298
CHEBI ID
188023
PubChem CID
5312325

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 450.72
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 8.47
Molar Refractivity 119.24

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Created at
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Updated at
19th May 2022