Structure Database (LMSD)

Common Name
Monensin A
Systematic Name
Synonyms
LM ID
LMPK09000042
Formula
Exact Mass
Calculate m/z
670.429216
Status
Curated

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Streptomyces virginiae (#1961)
Actinomycetes (#1760)
Molecular structure of monovalent metal cation complexes of monensin.,
J Mol Biol, 1970
Pubmed ID: 5453344

String Representations

InChiKey (Click to copy)
GAOZTHIDHYLHMS-KEOBGNEYSA-N
InChi (Click to copy)
InChI=1S/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)/t19-,20-,21+,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,33-,34-,35+,36-/m0/s1
SMILES (Click to copy)
C1[C@]([H])([C@]2(C)CC[C@@]3(O[C@]([H])([C@@H](C)[C@@H](OC)[C@H](C)C(=O)O)[C@H](C)[C@@H](O)C3)O2)O[C@](CC)([C@]2([H])O[C@@]([H])([C@]3([H])[C@@H](C)C[C@@H](C)[C@@](CO)(O)O3)C[C@@H]2C)C1

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 47
Rings 5
Aromatic Rings
Rotatable Bonds 10
Van der Waals Molecular Volume 663.61
Topological Polar Surface Area 163.72
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 11
logP 7.71
Molar Refractivity 178.42

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Created at
13th Jan 2026
Updated at
13th Jan 2026