Structure Database (LMSD)

Common Name
Erythromycin B
Systematic Name
Synonyms
LM ID
LMPK04000012
Status
Active
Exact Mass
Calculate m/z
717.466329
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)
IDRYSCOQVVUBIJ-PPGFLMPOSA-N
InChi (Click to copy)
InChI=1S/C37H67NO12/c1-14-26-20(4)29(40)21(5)28(39)18(2)16-36(9,44)33(50-35-30(41)25(38(11)12)15-19(3)46-35)22(6)31(23(7)34(43)48-26)49-27-17-37(10,45-13)32(42)24(8)47-27/h18-27,29-33,35,40-42,44H,14-17H2,1-13H3/t18-,19-,20+,21+,22+,23-,24+,25+,26-,27+,29+,30-,31+,32+,33-,35+,36-,37-/m1/s1
SMILES (Click to copy)
[C@@H]1([C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@H]([C@@H](C)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H]([C@H](O)[C@](C)(OC)C2)C)[C@@H]1C)O)O[C@@H]1O[C@@H](C[C@H](N(C)C)[C@H]1O)C

References

Other Databases

Wikipedia
KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 50
Rings 3
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 722.78
Topological Polar Surface Area 179.89
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 13
logP 6.39
Molar Refractivity 191.45

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Created at
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Updated at
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