Structure database (LMSD)

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LM IDLMPK04000038
Common NamePikromycin
Systematic Name-
Synonyms-
Exact Mass
525.3302 (neutral)    Calculate m/z:
FormulaC28H47NO8
CategoryPolyketides [PK]
Main ClassMacrolides and lactone polyketides [PK04]
Sub Class-
PubChem CID5282037
KEGG IDC11999
InChIKeyUZQBOFAUUTZOQE-VSLWXVDYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C28H47NO8/c1-10-22-28(7,34)12-11-21(30)15(2)13-16(3)25(18(5)23(31)19(6)
26(33)36-22)37-27-24(32)20(29(8)9)14-17(4)35-27/h11-12,15-20,22,24-25,27,32,34H,
10,13-14H2,1-9H3/b12-11+/t15-,16+,17-,18+,19-,20+,22-,24-,25+,27+,28+/m1/s1
SMILES[C@H]1(O[C@@H]2[C@H](C(=O)[C@@H](C)C(=O)O[C@H](CC)[C@](O)(C)C=CC(=O)[C@H](C)C[C@
@H]2C)C)[C@H](O)[C@H](C[C@@H](C)O1)N(C)C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms37Rings2Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
539.00Topological Polar
Surface Area
126.74Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
9
 logP4.52Molar
Refractivity
142.11