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 0
Aromatic Rings 0
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

Admin

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