Structure Database (LMSD)

Common Name
Carboceric acid
Systematic Name
heptacosanoic acid
Synonyms
  • C27:0
LM ID
LMFA01010027
Formula
C27H54O2
Exact Mass
Calculate m/z
410.41238
Sum Composition
FA 27:0
Status
Curated
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View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Straight chain fatty acids [FA0101]

Biological Context

Heptacosanoic acid is an odd-chain saturated fatty acid. It has been used as an internal standard for the quantification of very long-chain fatty acids (VLCFAs) in human serum.1 Heptacosanoic acid has been found in wood smoke, as well as in urban and rural emissions of fine particulate matter less than 2.5 µm in aerodynamic diameter (PM2.5).2,3

This information has been provided by Cayman Chemical

References

1. Zheng, M., Cass, G.R., Schauer, J.J., et al. Source apportionment of PM2.5 in the southeastern United States using solvent-extractable organic compounds as tracers. Environ. Sci. Technol. 36(11), 2361-2371 (2002).
2. Rogge, W.F., Hildemann, L.M., Mazurek, M.A., et al. Sources of fine organic aerosol. 9. Pine, oak, and synthetic log combustion in residential fireplaces. Environ. Sci. Technol. 32(1), 13-22 (1998).
3. Paik, M.J., Lee, K.O., and Shin, H.S. Determination of very-long-chain fatty acids in serum by gas chromatography-nitrogen-phosphorus detection following cyanomethylation. J. Chromatogr. B Biomed. Sci. Appl. 721(1), 3-11 (1999).

Reactions

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ⓘ Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Reactions graph legend

String Representations

InChiKey (Click to copy)
VXZBFBRLRNDJCS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C27H54O2/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/h2-26H2,1H3,(H,28,29)
SMILES (Click to copy)
C(CCCCCCCCCCCCC(=O)O)CCCCCCCCCCCCC

Other Databases

HMDB ID
HMDB0002063
CHEBI ID
78710
LIPIDBANK ID
DFA0027
PubChem CID
23524
PlantFA ID
10173
SwissLipids ID
SLM:000000980
Cayman ID
36163

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 0
Aromatic Rings 0
Rotatable Bonds 25
Van der Waals Molecular Volume 490.60
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 9.84
Molar Refractivity 128.73

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Created at
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Updated at
9th Jun 2022