Structure Database (LMSD)

Common Name
alpha-heptenoic acid
Systematic Name
2-heptenoic acid
Synonyms
  • C7:1n-5
LM ID
LMFA01030012
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)
YURNCBVQZBJDAJ-AATRIKPKSA-N
InChi (Click to copy)
InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/b6-5+
SMILES (Click to copy)
C(CC)C/C=C/C(=O)O

Other Databases

HMDB ID
HMDB0031484
CHEBI ID
38364
LIPIDBANK ID
DFA0051
PubChem CID
5282709

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
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