Structure database (LMSD)

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LM IDLMPK06000001
Common NameNystatin (W)
Systematic Name-
Synonyms-
Exact Mass
925.5035 (neutral)    Calculate m/z:
FormulaC47H75NO17
CategoryPolyketides [PK]
Main ClassPolyenes [PK06]
Sub Class-
PubChem CID11953884
KEGG IDC06572
HMDB IDHMDB0014784
InChIKeyZDFDJJJGIRGMBE-AFARJNEBSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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+,14-1
2+,17-15+,18-16+/t27?,28?,29?,30-,31?,32?,33?,35?,36?,37?,38?,39?,41?,42+,43?,44
-,45+,47?/m1/s1
SMILESC1(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
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms65Rings2Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
933.61Topological Polar
Surface Area
331.59Hydrogen
Bond Donors
12Hydrogen
Bond Acceptors
17
 logP5.07Molar
Refractivity
245.96