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

Main

Classification

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

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

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

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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Created at
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Updated at
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