Structure Database (LMSD)

O O O HO O HO N O
Common Name
Methymycin
Systematic Name
Synonyms
LM ID
LMPK04000037
Formula
C25H43NO7
Exact Mass
Calculate m/z
469.303954
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
HUKYPYXOBINMND-HYUJHOPRSA-N
InChi (Click to copy)
InChI=1S/C25H43NO7/c1-9-20-25(6,30)11-10-19(27)14(2)12-15(3)22(17(5)23(29)32-20)33-24-21(28)18(26(7)8)13-16(4)31-24/h10-11,14-18,20-22,24,28,30H,9,12-13H2,1-8H3/b11-10+/t14-,15+,16-,17-,18+,20-,21-,22+,24+,25+/m1/s1
SMILES (Click to copy)
[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](CC)[C@](O)(C)C=CC(=O)[C@H](C)C[C@@H]1C

References

Other Databases

KEGG ID
C11996
CHEBI ID
29630
PubChem CID
5282034
PDB ID
MT9

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 2
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 480.95
Topological Polar Surface Area 109.67
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 8
logP 4.31
Molar Refractivity 127.94

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Created at
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Updated at
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