Structure Database (LMSD)

Common Name
10-Deoxymethymycin
Systematic Name
Synonyms
LM ID
LMPK04000035
Formula
C25H43NO6
Exact Mass
Calculate m/z
453.309039
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Macrolides and lactone polyketides [PK04]

String Representations

InChiKey (Click to copy)
DZGHWPQKGWXOHD-NHLONWFASA-N
InChi (Click to copy)
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
SMILES (Click to copy)
[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

Other Databases

KEGG ID
C11994
CHEBI ID
29706
PubChem CID
5282032

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 2
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 472.16
Topological Polar Surface Area 89.44
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
logP 4.91
Molar Refractivity 125.97

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Updated at
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