Structure Database (LMSD)

Common Name
Tylosin
Systematic Name
Synonyms
LM ID
LMPK04000004
Status
Active
Exact Mass
Calculate m/z
915.519154
Formula




Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
WBPYTXDJUQJLPQ-VMXQISHHSA-N
InChi (Click to copy)
InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1
SMILES (Click to copy)
[C@H]1([C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O)CC(=O)O[C@H](CC)[C@H](C=C(C)C=CC(=O)[C@H](C)C[C@@H]2CC=O)CO[C@@H]2O[C@@H]([C@@H](O)[C@@H](OC)[C@H]2OC)C)[C@H](O)[C@H]1N(C)C)O[C@@H]1O[C@H]([C@H](O)[C@@](O)(C)C1)C

References

Reference
Novel fermentation products from Streptomyces fradiae: X-ray crystal structure of 5-O-mycarosyltylactone and proof of the absolute configuration of tylosin.
J Antibiot (Tokyo), 1982
DOI: 10.7164/antibiotics.35.420
PMID: 7096197

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Streptomyces fradiae (#1906)
Actinomycetia (#1760)
Novel fermentation products from Streptomyces fradiae: X-ray crystal structure of 5-O-mycarosyltylactone and proof of the absolute configuration of tylosin.,
J Antibiot (Tokyo), 1982
Pubmed ID: 7096197

Other Databases

Wikipedia
KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 64
Rings 4
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 902.15
Topological Polar Surface Area 246.95
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 18
logP 6.99
Molar Refractivity 239.53

Admin

Created at
-
Updated at
29th Mar 2021