Structure Database (LMSD)

Common Name
Lactarinic acid
Systematic Name
6-oxo-octadecanoic acid
Synonyms
  • 6-keto stearic acid
LM ID
LMFA02000243
Formula
C18H34O3
Exact Mass
Calculate m/z
298.250795
Sum Composition
FA 18:1;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Octadecanoids [FA02]
Other Octadecanoids [FA0200]
Fatty Acids and Conjugates [FA01]
Oxo fatty acids [FA0106]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lactarius (#34444)
Agaricomycetes (#155619)
XXVII.—Synthesis of certain higher aliphatic compounds. Part I. A synthesis of lactarinic acid and of oleic acid,
J. Chem. Soc., Trans.,, 1925

String Representations

InChiKey (Click to copy)
QZLYZQUYIQGGOQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-14-17(19)15-12-13-16-18(20)21/h2-16H2,1H3,(H,20,21)
SMILES (Click to copy)
C(C(=O)CCCCCCCCCCCC)CCCC(=O)O

Other Databases

CHEBI ID
179235
PubChem CID
361939
PlantFA ID
10193

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 341.05
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.51
Molar Refractivity 87.57

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Updated at
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