Structure Database (LMSD)

Common Name
Erythromycin D
Systematic Name
Synonyms
LM ID
LMPK04000010
Formula
C36H65NO12
Exact Mass
Calculate m/z
703.450679
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

String Representations

InChiKey (Click to copy)
CLQUUOKNEOQBSW-DGAFEIGRSA-N
InChi (Click to copy)
InChI=1S/C36H65NO12/c1-13-25-19(4)28(39)20(5)27(38)17(2)15-36(10,44)32(49-34-29(40)24(37(11)12)14-18(3)45-34)21(6)30(22(7)33(42)47-25)48-26-16-35(9,43)31(41)23(8)46-26/h17-26,28-32,34,39-41,43-44H,13-16H2,1-12H3/t17-,18-,19+,20+,21+,22-,23+,24+,25-,26?,28+,29-,30+,31+,32-,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@@H](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

Other Databases

Wikipedia
Erythromycin
KEGG ID
C06633
PubChem CID
5462330

Calculated Physicochemical Properties

Heavy Atoms 49
Rings 3
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 705.48
Topological Polar Surface Area 190.89
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 13
logP 5.74
Molar Refractivity 186.66

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Created at
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Updated at
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