Structure database (LMSD)

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LM IDLMPK04000009
Common NameErythromycin C (W)
Systematic Name-
Synonyms-
Exact Mass
719.4456 (neutral)    Calculate m/z:
FormulaC36H65NO13
CategoryPolyketides [PK]
Main ClassMacrolides and lactone polyketides [PK04]
Sub Class-
PubChem CID441095
KEGG IDC06616
InChIKeyMWFRKHPRXPSWNT-FAIBCODDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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[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
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms50Rings3Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
714.27Topological Polar
Surface Area
211.12Hydrogen
Bond Donors
6Hydrogen
Bond Acceptors
14
 logP5.14Molar
Refractivity
188.64