Structure Database (LMSD)

Common Name
hept-2-enedioic acid
Systematic Name
hept-2-enedioic acid
Synonyms
  • 2,3-didehydropimelic acid
LM ID
LMFA01031011
Formula
C7H10O4
Exact Mass
Calculate m/z
158.05791
Sum Composition
FA 7:2;O2
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]

String Representations

InChiKey (Click to copy)
OXQWBLJQOBXJPM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H10O4/c8-6(9)4-2-1-3-5-7(10)11/h2,4H,1,3,5H2,(H,8,9)(H,10,11)
SMILES (Click to copy)
C(=C([H])CCCC(O)=O)C(O)=O

Other Databases

CHEBI ID
37260
PubChem CID
11966236

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 156.90
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 0.88
Molar Refractivity 38.26

Admin

Created at
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Updated at
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