Structure Database (LMSD)

Common Name
methyl 9-hydroperoxy-10,12,13,15-bisepidioxy-16E-octadecenoate
Systematic Name
methyl 9-hydroperoxy-10,12,13,15-bisepidioxy-16E-octadecenoate
Synonyms
LM ID
LMFA01040051
Status
Active
Exact Mass
Calculate m/z
388.20972
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)
WBDZRMWZSZDXFJ-YCRREMRBSA-N
InChi (Click to copy)
InChI=1S/C19H32O8/c1-3-9-14-12-16(25-24-14)18-13-17(26-27-18)15(23-21)10-7-5-4-6-8-11-19(20)22-2/h3,9,14-18,21H,4-8,10-13H2,1-2H3/b9-3+
SMILES (Click to copy)
C1(C2OOC(C2)C(OO)CCCCCCCC(=O)OC)OOC(/C=C/C)C1

References

Other Databases

CHEBI ID
LIPIDBANK ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 2
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 377.58
Topological Polar Surface Area 100.96
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 8
logP 5.11
Molar Refractivity 97.80

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Created at
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Updated at
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