Structure Database (LMSD)

Common Name
Alchornoic acid
Systematic Name
14S,15R-epoxy-11Z-eicosenoic acid
Synonyms
  • Alchornic acid
LM ID
LMFA01070021
Formula
C20H36O3
Exact Mass
Calculate m/z
324.266446
Sum Composition
FA 20:2;O
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Epoxy fatty acids [FA0107]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Alchornea cordifolia (#316697)
Magnoliopsida (#3398)
Alchornea cordifolia seed oil: A rich source of a new C20 epoxide, (+)cis-14,15-epoxy-cis-11-eicosenoic acid.,
Lipids, 1977
Pubmed ID: 27519847

String Representations

InChiKey (Click to copy)
IQTLUAOJSNPZIR-QOLSVTOYSA-N
InChi (Click to copy)
InChI=1S/C20H36O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h10,13,18-19H,2-9,11-12,14-17H2,1H3,(H,21,22)/b13-10-/t18-,19+/m1/s1
SMILES (Click to copy)
C(CCCCCCCCC/C=C\C[C@@H]1O[C@@H]1CCCCC)(=O)O

Other Databases

CHEBI ID
165391
PubChem CID
44256507
PlantFA ID
10192

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 1
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 363.29
Topological Polar Surface Area 49.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 6.45
Molar Refractivity 96.77

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Updated at
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