Structure Database (LMSD)

Common Name
26:0(19Cp)
Systematic Name
19-cyclopropyl-hexacosanoic acid
Synonyms
LM ID
LMFA01140027
Status
Active
Exact Mass
Calculate m/z
408.39673
Formula
C27H52O2
Abbrev
FA 27:1
Show lipids differing only in stereochemistry/bond geometry
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

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

References

Reference
Lipid compounds of freshwater sponges:
family Spongillidae, class Demospongiae
Valery M. Dembitsky, Tomas Rezankab and Morris Srebnika
Chemistry and Physics of Lipids
Volume 123, Issue 2, April 2003, Pages 117-155

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

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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