Structure Database (LMSD)

Common Name
Spiramycin
Systematic Name
Synonyms
LM ID
LMPK04000005
Formula
C43H74N2O14
Exact Mass
Calculate m/z
842.514008
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Streptomyces ambofaciens (#1889)
Actinomycetes (#1760)
The structures of the spiramycins and magnamycin.,
J Am Chem Soc, 1965
Pubmed ID: 5845077

String Representations

InChiKey (Click to copy)
ACTOXUHEUCPTEW-CEUOBAOPSA-N
InChi (Click to copy)
InChI=1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+/t24-,25-,26-,27-,28+,29+,30+,31-,32+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-/m1/s1
SMILES (Click to copy)
C[C@@H]1C[C@H](CC=O)[C@@H]([C@H]([C@@H](CC(=O)O[C@H](C)C/C=C/C=C/[C@@H]1O[C@H]1CC[C@@H]([C@@H](C)O1)N(C)C)O)OC)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](C)O1)O[C@H]1C[C@](C)([C@H]([C@H](C)O1)O)O)N(C)C)O

Other Databases

Wikipedia
Spiramycin
KEGG ID
C01754
PubChem CID
5289394
PDB ID
SPR
GuidePharm ID
13312

Calculated Physicochemical Properties

Heavy Atoms 59
Rings 4
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 837.52
Topological Polar Surface Area 203.66
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 16
logP 7.19
Molar Refractivity 225.59

Admin

Created at
-
Updated at
5th Oct 2021