Structure Database (LMSD)

Common Name
13,14-dihydroxy-docosanoic acid
Systematic Name
13,14-dihydroxy-docosanoic acid
Synonyms
LM ID
LMFA01050211
Status
Active
Exact Mass
Calculate m/z
372.32396
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
KXWWULNBUIUDOT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H44O4/c1-2-3-4-5-11-14-17-20(23)21(24)18-15-12-9-7-6-8-10-13-16-19-22(25)26/h20-21,23-24H,2-19H2,1H3,(H,25,26)
SMILES (Click to copy)
C(CCCCCCCCCCCC(O)C(O)CCCCCCCC)(=O)O

References

Other Databases

LIPIDAT ID
2919
PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 421.68
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 6.41
Molar Refractivity 109.45

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Created at
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Updated at
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