Structure Database (LMSD)

Common Name
Nystatin
Systematic Name
Synonyms
LM ID
LMPK06000001
Formula
C47H75NO17
Exact Mass
Calculate m/z
925.503504
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Polyenes [PK06]

References

Taxonomy Information

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

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

Other Databases

Wikipedia
Nystatin
KEGG ID
C06572
HMDB ID
HMDB0014784
PubChem CID
11953884

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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