Structure Database (LMSD)

Common Name
7-octynoic acid
Systematic Name
7-octynoic acid
Synonyms
  • 7-Octynoic acid
LM ID
LMFA01030578
Formula
C8H12O2
Exact Mass
Calculate m/z
140.08373
Sum Composition
FA 8:2
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)
WJBHDZBQZOMDFF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H12O2/c1-2-3-4-5-6-7-8(9)10/h1H,3-7H2,(H,9,10)
SMILES (Click to copy)
C(CCCCCC#C)(=O)O

Other Databases

LIPIDAT ID
5919
CHEBI ID
187270
PubChem CID
5312700

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 156.62
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 1.65
Molar Refractivity 39.55

Admin

Created at
-
Updated at
25th Apr 2022