Structure Database (LMSD)

Common Name
13S-HODE
Systematic Name
13S-hydroxy-9Z,11E-octadecadienoic acid
Synonyms
  • (9Z, 11E)-(13S)-13-Hydroxyoctadeca-9,11-dienoic acid
  • 13-HODE
LM ID
LMFA02000228
Status
Active
Exact Mass
Calculate m/z
296.235145
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)
HNICUWMFWZBIFP-IRQZEAMPSA-N
InChi (Click to copy)
InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+/t17-/m0/s1
SMILES (Click to copy)
OC(=O)CCCCCCC/C=C\C=C\[C@@H](O)CCCCC

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID
PlantFA ID
SwissLipids ID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 338.41
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 5.14
Molar Refractivity 88.90

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Created at
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Updated at
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