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
Status
Active
Exact Mass
Calculate m/z
130.09938
Formula
C7H14O2
Abbrev
FA 7:0
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Main

Classification

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

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

References

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

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

Reactions

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Reactions graph legend

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Created at
-
Updated at
25th Apr 2022