Structure Database (LMSD)

Common Name
9,13-dihydroxy-12-ethoxy-10-octadecenoic acid
Systematic Name
9,13-dihydroxy-12-ethoxy-10-octadecenoic acid
Synonyms
LM ID
LMFA01050122
Formula
Exact Mass
Calculate m/z
358.271925
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
IEEBTNFNSJRPDT-FOCLMDBBSA-N
InChi (Click to copy)
InChI=1S/C20H38O5/c1-3-5-9-13-18(22)19(25-4-2)16-15-17(21)12-10-7-6-8-11-14-20(23)24/h15-19,21-22H,3-14H2,1-2H3,(H,23,24)/b16-15+
SMILES (Click to copy)
C(=C/C(OCC)C(O)CCCCC)\C(O)CCCCCCCC(=O)O

References

Other Databases

CHEBI ID
LIPIDBANK ID
DFA8019
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 393.23
Topological Polar Surface Area 86.99
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 5.21
Molar Refractivity 102.69

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Created at
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Updated at
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