Structure database (LMSD)

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LM IDLMPK04000006
Common NameErythromycin (W)
Systematic Name-
Synonyms-
Exact Mass
733.4612 (neutral)    Calculate m/z:
FormulaC37H67NO13
CategoryPolyketides [PK]
Main ClassMacrolides and lactone polyketides [PK04]
Sub Class-
PubChem Compound ID (CID)12560
METABOLOMICS ID-
KEGG IDC01912
HMDB ID-
YMDB ID-
CHEBI ID42355
InChIKeyULGZDMOVFRHVEP-RWJQBGPGSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-
28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(
42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,2
3+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1
SMILESCO[C@@]1(C)C[C@@H](O[C@H]2[C@H](C)C(=O)O[C@@H](CC)[C@](C)(O)[C@@H](O)[C@H](C)C(=
O)[C@@H](C)C[C@](C)(O)[C@@H](O[C@H]3O[C@@H](C)C[C@H]([C@@H]3O)N(C)C)[C@@H]2C)O[C
@H](C)[C@H]1O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms51Rings3Aromatic Rings0Rotatable Bonds7
 van der Waals
Molecular Volume
731.57Topological Polar
Surface Area
200.12Hydrogen
Bond Donors
5Hydrogen
Bond Acceptors
14
 logP5.80Molar
Refractivity
193.43    
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