Structure database (LMSD)

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LM IDLMPK04000035
Common Name10-Deoxymethymycin
Systematic Name-
Synonyms-
Exact Mass
453.3090 (neutral)    Calculate m/z:
FormulaC25H43NO6
CategoryPolyketides [PK]
Main ClassMacrolides and lactone polyketides [PK04]
Sub Class-
PubChem CID5282032
KEGG IDC11994
InChIKeyDZGHWPQKGWXOHD-NHLONWFASA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C25H43NO6/c1-9-21-14(2)10-11-20(27)15(3)12-16(4)23(18(6)24(29)31-21)32-25-22(28)19(26(7)8)13-17(5)30-25/h10-11,14-19,21-23,25,28H,9,12-13H2,1-8H3/b11-10+/t14-,15-,16+,17-,18-,19+,21-,22-,23+,25+/m1/s1
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SMILES
[C@@H]1([C@H](O)[C@@H](N(C)C)C[C@@H](C)O1)O[C@@H]1[C@@H](C)C(=O)O[C@H](CC)[C@H](C)C=CC(=O)[C@H](C)C[C@@H]1C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms32Rings2Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
472.16Topological Polar
Surface Area
89.44Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
7
 logP4.91Molar
Refractivity
125.97