Structure Database (LMSD)

Common Name
Floionic acid
Systematic Name
9,10-dihydroxy-Octadecanedioic acid
Synonyms
  • Phloionic acid
LM ID
LMFA01170030
Status
Active
Exact Mass
Calculate m/z
346.23554
Formula
C18H34O6
Abbrev
FA 18:1;O4
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Dicarboxylic acids [FA0117]
Hydroxy fatty acids [FA0105]
Octadecanoids [FA02]

String Representations

InChiKey (Click to copy)
NQBSWIGTUPEPIH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H34O6/c19-15(11-7-3-1-5-9-13-17(21)22)16(20)12-8-4-2-6-10-14-18(23)24/h15-16,19-20H,1-14H2,(H,21,22)(H,23,24)
SMILES (Click to copy)
C(CCCCCCCC(O)C(O)CCCCCCCC(=O)O)(=O)O

References

Other Databases

LIPIDAT ID
3002
CHEBI ID
187765
PubChem CID
236484
PlantFA ID
10246

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 367.42
Topological Polar Surface Area 115.06
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 3.91
Molar Refractivity 92.95

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Updated at
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