Structure Database (LMSD)

Common Name
27:2(5Z,9Z)
Systematic Name
5Z,9Z-heptacosadienoic acid
Synonyms
LM ID
LMFA01020363
Formula
C27H50O2
Exact Mass
Calculate m/z
406.38108
Sum Composition
FA 27:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Cinachyrella kuekenthali (#458489)
Demospongiae (#6042)
Phospholipid fatty acids and sterols of two Cinachyrella sponges from the Saudi Arabian Red Sea: comparison with Cinachyrella species from other origins.,
Comp Biochem Physiol B Biochem Mol Biol, 2003
Pubmed ID: 12798940

String Representations

InChiKey (Click to copy)
QHCUSXRHMXVISV-ZCIBKELESA-N
InChi (Click to copy)
InChI=1S/C27H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29/h18-19,22-23H,2-17,20-21,24-26H2,1H3,(H,28,29)/b19-18-,23-22-
SMILES (Click to copy)
C(CCC/C=C\CC/C=C\CCCCCCCCCCCCCCCCC)(=O)O

Other Databases

CHEBI ID
186685
PubChem CID
44567153

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 0
Aromatic Rings 0
Rotatable Bonds 23
Van der Waals Molecular Volume 485.32
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 9.40
Molar Refractivity 128.55

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Created at
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Updated at
6th Sep 2024