Structure Database (LMSD)

Common Name
6-heptynoic acid
Systematic Name
6-heptynoic acid
Synonyms
  • 6-Heptynoic acid
LM ID
LMFA01030490
Formula
C7H10O2
Exact Mass
Calculate m/z
126.06808
Sum Composition
FA 7:2
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)
OFCPMJGTZUVUSM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H10O2/c1-2-3-4-5-6-7(8)9/h1H,3-6H2,(H,8,9)
SMILES (Click to copy)
C(CCCCC#C)(=O)O

Other Databases

LIPIDAT ID
4243
CHEBI ID
184202
PubChem CID
4377950

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 139.32
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 1.26
Molar Refractivity 34.94

Admin

Created at
-
Updated at
25th Apr 2022