Structure Database (LMSD)

Common Name
Erythromycin
Systematic Name
Synonyms
LM ID
LMPK04000006
Status
Active
Exact Mass
Calculate m/z
733.461244
Formula




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)
ULGZDMOVFRHVEP-RWJQBGPGSA-N
InChi (Click to copy)
InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1
SMILES (Click to copy)
[C@@H]1(O[C@@H]2O[C@@H](C[C@H](N(C)C)[C@H]2O)C)[C@@H](C)[C@@H]([C@@H](C)C(=O)O[C@@H]([C@](O)(C)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]1(C)O)CC)O[C@@H]1O[C@H]([C@H](O)[C@](C)(OC)C1)C

References

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 51
Rings 3
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 731.57
Topological Polar Surface Area 200.12
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 14
logP 5.80
Molar Refractivity 193.43

Admin

Created at
-
Updated at
-