Structure Database (LMSD)

Common Name
Malvalic acid
Systematic Name
8,9-methylene-8Z-heptadecenoic acid
Synonyms
  • Malvic acid
  • Halphenic acid
  • Malvalinic acid
  • Halphen acid
LM ID
LMFA01140002
Formula
C18H32O2
Exact Mass
Calculate m/z
280.24023
Sum Composition
FA 18:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Carbocyclic fatty acids [FA0114]
Unsaturated fatty acids [FA0103]
Branched fatty acids [FA0102]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Malva verticillata (#446348)
Magnoliopsida (#3398)
Malvalic acid and its structure.,
Nature, 1957
Pubmed ID: 13430715

String Representations

InChiKey (Click to copy)
HPSSZFFAYWBIPY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H32O2/c1-2-3-4-5-6-9-12-16-15-17(16)13-10-7-8-11-14-18(19)20/h2-15H2,1H3,(H,19,20)
SMILES (Click to copy)
OC(=O)CCCCCCC1CC=1CCCCCCCC

Other Databases

Wikipedia
Malvalic_acid
KEGG ID
C08321
CHEBI ID
6673
PubChem CID
10416
PlantFA ID
10229

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 319.90
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.86
Molar Refractivity 84.97

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Updated at
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