Structure database (LMSD)

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LM IDLMPK04000010
Common NameErythromycin D (W)
Systematic Name-
Synonyms-
Exact Mass
703.4507 (neutral)    Calculate m/z:
FormulaC36H65NO12
CategoryPolyketides [PK]
Main ClassMacrolides and lactone polyketides [PK04]
Sub Class-
PubChem CID5462330
KEGG IDC06633
InChIKeyCLQUUOKNEOQBSW-DGAFEIGRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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[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
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms49Rings3Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
705.48Topological Polar
Surface Area
190.89Hydrogen
Bond Donors
5Hydrogen
Bond Acceptors
13
 logP5.74Molar
Refractivity
186.66