Structure database (LMSD)

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LM IDLMPK04000036
Common NameNeomethymycin
Systematic Name-
Synonyms-
Exact Mass
469.3040 (neutral)    Calculate m/z:
FormulaC25H43NO7
CategoryPolyketides [PK]
Main ClassMacrolides and lactone polyketides [PK04]
Sub Class-
PubChem CID5282033
KEGG IDC11995
InChIKeyUEIVQYHYALXCBD-OTUJEKPESA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H43NO7/c1-13-9-10-20(28)14(2)11-15(3)22(17(5)24(30)32-23(13)18(6)27)
33-25-21(29)19(26(7)8)12-16(4)31-25/h9-10,13-19,21-23,25,27,29H,11-12H2,1-8H3/b1
0-9+/t13-,14-,15+,16-,17-,18-,19+,21-,22+,23+,25+/m1/s1
SMILES[C@@H]1([C@H](O)[C@H](C[C@@H](C)O1)N(C)C)O[C@@H]1[C@@H](C)C(=O)O[C@H]([C@H](O)C)
[C@H](C)C=CC(=O)[C@H](C)C[C@@H]1C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms33Rings2Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
480.95Topological Polar
Surface Area
109.67Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
8
 logP4.17Molar
Refractivity
127.87