Structure Database (LMSD)

Common Name
Nystatin
Systematic Name
Synonyms
LM ID
LMPK06000001
Status
Active
Exact Mass
Calculate m/z
925.503504
Formula



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

Main

Classification

Category
Main Class
Sub Class

String Representations

InChiKey (Click to copy)
ZDFDJJJGIRGMBE-AFARJNEBSA-N
InChi (Click to copy)
InChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-35(65-47-45(60)42(48)44(59)30(4)64-47)26-39(56)41(46(61)62)38(55)24-34(52)23-37(54)36(53)20-19-31(49)21-32(50)22-33(51)25-40(57)63-29(3)28(2)43(27)58/h5-6,8,10-18,27-33,35-39,41-45,47,49-51,53-56,58-60H,7,9,19-26,48H2,1-4H3,(H,61,62)/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16+/t27?,28?,29?,30-,31?,32?,33?,35?,36?,37?,38?,39?,41?,42+,43?,44-,45+,47?/m1/s1
SMILES (Click to copy)
C1(O[C@@H]([C@@H](O)[C@H](N)[C@@H]1O)C)OC1C=CC=CC=CC=CCCC=CC=CC(C)C(O)C(C)C(OC(=O)CC(O)CC(O)CC(O)CCC(O)C(O)CC(=O)CC(O)C(C(=O)O)C(O)C1)C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Streptomyces noursei (#1971)
Actinomycetia (#1760)
Macrolide antibiotic studies. XVI. The structure of nystatin.,
Tetrahedron Lett, 1970
Pubmed ID: 5501335

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 65
Rings 2
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 933.61
Topological Polar Surface Area 331.59
Hydrogen Bond Donors 12
Hydrogen Bond Acceptors 17
logP 5.07
Molar Refractivity 245.96

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Updated at
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