Structure Database (LMSD)

Common Name
epsilon-heptenoic acid
Systematic Name
6-heptenoic acid
Synonyms
  • C7:1n-1
LM ID
LMFA01030016
Formula
C7H12O2
Exact Mass
Calculate m/z
128.08373
Sum Composition
FA 7:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

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)
RWNJOXUVHRXHSD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h2H,1,3-6H2,(H,8,9)
SMILES (Click to copy)
C(C=C)CCCC(=O)O

Other Databases

CHEBI ID
38363
LIPIDBANK ID
DFA0055
PubChem CID
70705

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 141.96
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 1.82
Molar Refractivity 36.30

Admin

Created at
-
Updated at
25th Apr 2022