Structure Database (LMSD)

Systematic Name
9-hydroxy-10-oxo-12(Z),15(Z)-octadecadienoic acid
Synonyms
  • DODA
  • FIF
  • flower-inducing factor
LM ID
LMFA02000393
Formula
C18H30O4
Exact Mass
Calculate m/z
310.21441
Sum Composition
FA 18:3;O2
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]
Hydroxy fatty acids [FA0105]
Oxo fatty acids [FA0106]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lemna aequinoctialis (#89585)
Magnoliopsida (#3398)
Stress-induced factor involved in flower formation of Lemna is an alpha-ketol derivative of linolenic acid.,
Plant Cell Physiol, 2000
Pubmed ID: 10750715

String Representations

InChiKey (Click to copy)
NJAYHLDXCVDTEV-ZJSQCTGTSA-N
InChi (Click to copy)
InChI=1S/C18H30O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h3-4,7,10,17,20H,2,5-6,8-9,11-15H2,1H3,(H,21,22)/b4-3-,10-7-
SMILES (Click to copy)
C(CCCCCCCC(O)C(=O)C/C=C\C/C=C\CC)(=O)O

Other Databases

PubChem CID
11243846

Calculated Physicochemical Properties

Heavy Atoms 22
Rings
Aromatic Rings
Rotatable Bonds 14
Van der Waals Molecular Volume 344.56
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 4.32
Molar Refractivity 89.29

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Created at
26th May 2022
Updated at
26th May 2022