Structure Database (LMSD)

O O OH O OH O O OH O HO O O N
Common Name
Erythromycin B
Systematic Name
Synonyms
LM ID
LMPK04000012
Formula
C37H67NO12
Exact Mass
Calculate m/z
717.466329
Status
Active
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Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Macrolides and lactone polyketides [PK04]

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
Erythromycin
KEGG ID
C06653
CHEBI ID
28196
PubChem CID
9918244
PDB ID
ERB

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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