LIPID MAPS

Structure Database (LMSD)

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Common Name

(-)-Picrotoxinin

Systematic Name

Synonyms

LM ID

LMPR0103540001

Formula

C₁₅H₁₆O₆

Exact Mass

Calculate m/z

292.09469

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

PIMZUZSSNYHVCU-YKWPQBAZSA-N

InChi (Click to copy)

InChI=1S/C15H16O6/c1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h6-10,18H,1,4H2,2-3H3/t6-,7+,8-,9-,10-,13-,14-,15+/m1/s1

SMILES (Click to copy)

[C@@]12(C)[C@@]34C(=O)O[C@@H]1[C@@H]1OC(=O)[C@@H]([C@@H]1C(=C)C)[C@]2(O)C[C@H]3O4

References

Other Databases

KEGG ID

C09529

CHEBI ID

8206

PubChem CID

442292

PDB ID

RI5

GuidePharm ID

2291

Calculated Physicochemical Properties

Heavy Atoms 21

Rings 5

Aromatic Rings 0

Rotatable Bonds 1

Van der Waals Molecular Volume 251.08

Topological Polar Surface Area 89.50

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 6

logP 1.37

Molar Refractivity 69.39

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