Structure Database (LMSD)

O N O O HO OH OH OH O O OH O HO O
Common Name
Erythromycin C
Systematic Name
Synonyms
LM ID
LMPK04000009
Formula
C36H65NO13
Exact Mass
Calculate m/z
719.445594
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
MWFRKHPRXPSWNT-FAIBCODDSA-N
InChi (Click to copy)
InChI=1S/C36H65NO13/c1-13-24-36(10,45)29(40)19(4)26(38)17(2)15-35(9,44)31(50-33-27(39)23(37(11)12)14-18(3)46-33)20(5)28(21(6)32(42)48-24)49-25-16-34(8,43)30(41)22(7)47-25/h17-25,27-31,33,39-41,43-45H,13-16H2,1-12H3/t17-,18-,19+,20+,21-,22+,23+,24-,25?,27-,28+,29-,30+,31-,33?,34-,35-,36-/m1/s1
SMILES (Click to copy)
[C@@H]1([C@@](O)(C)C[C@@H](C)C(=O)[C@H](C)[C@H]([C@@](O)(C)[C@@H](CC)OC(=O)[C@H](C)[C@@H](OC2O[C@H]([C@H](O)[C@@](O)(C)C2)C)[C@@H]1C)O)OC1O[C@@H](C[C@H](N(C)C)[C@H]1O)C

References

Other Databases

Wikipedia
Erythromycin
KEGG ID
C06616
PubChem CID
441095

Calculated Physicochemical Properties

Heavy Atoms 50
Rings 3
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 714.27
Topological Polar Surface Area 211.12
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 14
logP 5.14
Molar Refractivity 188.64

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Created at
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Updated at
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