Structure Database (LMSD)

Common Name
Heptylic acid
Systematic Name
heptanoic acid
Synonyms
  • Enanthic acid
  • Enanthylic acid
  • Heptoic acid
  • C7:0
  • Enanthoic acid
  • Oenanthic acid
LM ID
LMFA01010007
Formula
C7H14O2
Exact Mass
Calculate m/z
130.09938
Sum Composition
FA 7:0
Status
Curated
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Classification

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

Biological Context

Heptanoic acid is a medium-chain saturated fatty acid. It is a volatile component of the rancid odor of defective olive oil.1 It has also been found as a volatile component in pig farm wastewater.2 Heptanoic acid induces neurite outgrowth, a marker of neuronal differentiation, in PC12 cells in a concentration-dependent manner and increases the length of neurites when used at a concentration of 7.5 mM.3 [Matreya, LLC. Catalog No. 1196]

This information has been provided by Cayman Chemical

References

1. Kamata, Y., Shiraga, H., Tai, A., et al. Induction of neurite outgrowth in PC12 cells by the medium-chain fatty acid octanoic acid. Neuroscience 146(3), 1073-1081 (2007).
2. Yo, S.-P. Analysis of volatile fatty acids in wastewater collected from a pig farm by a solid phase microextraction method. Chemosphere 38(4), 823-834 (1999).
3. Oliver-Pozo, C., Aparicio-Ruiz, R., Romero, I., et al. Analysis of volatile markers for virgin olive oil aroma defects by SPME-GC/FID: Possible sources of incorrect data. J. Agric. Food Chem. 63(48), 10477-10483 (2015).

Reactions

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Reactions graph legend

String Representations

InChiKey (Click to copy)
MNWFXJYAOYHMED-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
SMILES (Click to copy)
CCCCCCC(=O)O

Other Databases

Wikipedia
heptanoic acid
KEGG ID
C17714
HMDB ID
HMDB0000666
CHEBI ID
45571
LIPIDBANK ID
DFA0007
PubChem CID
8094
PlantFA ID
10016
SwissLipids ID
SLM:000389947
Cayman ID
33672
PDB ID
SHV

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 144.60
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.04
Molar Refractivity 36.39

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Created at
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Updated at
25th Apr 2022