Structure Database (LMSD)

Common Name
9H-12(13)-EpODE
Systematic Name
9S-hydroxy-12R,13S-epoxy-10E,15Z-octadecadienoic acid
Synonyms
LM ID
LMFA02000020
Status
Active
Exact Mass
Calculate m/z
310.21441
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)
MGYJEJUWQRJNBN-OADLNGDBSA-N
InChi (Click to copy)
InChI=1S/C18H30O4/c1-2-3-7-11-16-17(22-16)14-13-15(19)10-8-5-4-6-9-12-18(20)21/h3,7,13-17,19H,2,4-6,8-12H2,1H3,(H,20,21)/b7-3-,14-13+/t15-,16-,17+/m0/s1
SMILES (Click to copy)
C(CCCCCCC[C@H](O)/C=C/[C@H]1O[C@H]1C/C=C\CC)(=O)O

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 334.84
Topological Polar Surface Area 70.06
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 4.70
Molar Refractivity 89.35

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Updated at
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