Structure Database (LMSD)

Common Name
Oleandomycin
Systematic Name
Synonyms
LM ID
LMPK04000007
Formula
C35H61NO12
Exact Mass
Calculate m/z
687.419379
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Macrolides and lactone polyketides [PK04]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Streptomyces antibioticus (#1890)
Actinomycetes (#1760)
THE STRUCTURE OF OLEANDOMYCIN,
J Am Chem Soc, 1960

String Representations

InChiKey (Click to copy)
RZPAKFUAFGMUPI-QESOVKLGSA-N
InChi (Click to copy)
InChI=1S/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30-,31-,34-,35+/m0/s1
SMILES (Click to copy)
[C@@]12(C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@H](C)[C@@H](O[C@@H]3O[C@H]([C@H](O)[C@@H](OC)C3)C)[C@H](C)[C@@H](O[C@@H]3O[C@@H](C[C@H](N(C)C)[C@H]3O)C)[C@@H](C)C1)OC2

Other Databases

Wikipedia
Oleandomycin
KEGG ID
C01946
CHEBI ID
16869
PubChem CID
72493
Cayman ID
16552
GuidePharm ID
13280

Calculated Physicochemical Properties

Heavy Atoms 48
Rings 4
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 675.82
Topological Polar Surface Area 172.19
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 13
logP 5.92
Molar Refractivity 180.77

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Created at
-
Updated at
22nd Mar 2024