Structure Database (LMSD)

Common Name
Linusic acid
Systematic Name
9,10,12,13,15,16-hexahydroxyoctadecanoic acid
Synonyms
LM ID
LMFA01050535
Formula
Exact Mass
Calculate m/z
380.24102
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
HCPSZQRUACPWRI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H36O8/c1-2-12(19)14(21)10-16(23)17(24)11-15(22)13(20)8-6-4-3-5-7-9-18(25)26/h12-17,19-24H,2-11H2,1H3,(H,25,26)
SMILES (Click to copy)
C(CCCCCCCC(O)C(O)CC(O)C(O)CC(O)C(O)CC)(=O)O

References

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 387.64
Topological Polar Surface Area 158.68
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 8
logP 1.88
Molar Refractivity 98.59

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Created at
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Updated at
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