Structure database (LMSD)

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LM IDLMPK04000012
Common NameErythromycin B (W)
Systematic Name-
Synonyms-
Exact Mass
717.4663 (neutral)    Calculate m/z:
FormulaC37H67NO12
CategoryPolyketides [PK]
Main ClassMacrolides and lactone polyketides [PK04]
Sub Class-
PubChem CID9918244
KEGG IDC06653
CHEBI ID28196
InChIKeyIDRYSCOQVVUBIJ-PPGFLMPOSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C37H67NO12/c1-14-26-20(4)29(40)21(5)28(39)18(2)16-36(9,44)33(50-35-30(4
1)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[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
Ion mobilityView Ion mobility data
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms50Rings3Aromatic Rings0Rotatable Bonds7
 van der Waals
Molecular Volume
722.78Topological Polar
Surface Area
179.89Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
13
 logP6.39Molar
Refractivity
191.45