Structure Database (LMSD)

Common Name
26:0(19Cp)
Systematic Name
19-cyclopropyl-hexacosanoic acid
Synonyms
LM ID
LMFA01140027
Formula
C27H52O2
Exact Mass
Calculate m/z
408.39673
Sum Composition
FA 27:1
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Carbocyclic fatty acids [FA0114]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Baikalospongia bacillifera (#83851)
Demospongiae (#6042)
Lipid compounds of freshwater sponges: family Spongillidae, class Demospongiae.,
Chem Phys Lipids, 2003
Pubmed ID: 12691847

String Representations

InChiKey (Click to copy)
STWTWRGWTAJRQS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C27H52O2/c1-2-3-4-18-21-25-24-26(25)22-19-16-14-12-10-8-6-5-7-9-11-13-15-17-20-23-27(28)29/h25-26H,2-24H2,1H3,(H,28,29)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCC1CC1CCCCCC)(=O)O

Other Databases

PubChem CID
52921866

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 1
Aromatic Rings 0
Rotatable Bonds 23
Van der Waals Molecular Volume 478.24
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 9.31
Molar Refractivity 126.48

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Updated at
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