Structure Database (LMSD)

Common Name
Formicolide B
Systematic Name
Synonyms
LM ID
LMPK04000044
Formula
C33H48O7
Exact Mass
Calculate m/z
556.340005
Status
Active
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 sp. (#1931)
Actinomycetes (#1760)
Formicolides A and B, Antioxidative and Antiangiogenic 20-Membered Macrolides from a Wood Ant Gut Bacterium.,
J Nat Prod, 2020
Pubmed ID: 32892623

String Representations

InChiKey (Click to copy)
AXOCJQRNBWAOMK-RGBILVFDSA-N
InChi (Click to copy)
InChI=1S/C33H48O7/c1-7-12-27(34)19-17-25(5)32(38)26(6)30-16-10-8-9-15-28(35)33(39)24(4)14-11-13-22(2)21-29(36)23(3)18-20-31(37)40-30/h7-15,18,21,25-30,32,34-36,38H,16-17,19-20H2,1-6H3/b10-8+,12-7-,13-11+,15-9+,22-21+,23-18+,24-14+/t25-,26-,27-,28+,29-,30+,32-/m1/s1
SMILES (Click to copy)
C1(=O)O[C@H]([C@@H](C)[C@@H]([C@H](C)CC[C@H](O)/C=C\C)O)CC=CC=C[C@H](O)C(=O)C(C)=CC=CC(C)=C[C@@H](O)C(C)=CC1

Other Databases

PubChem CID
156580881

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 1
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 604.87
Topological Polar Surface Area 126.36
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 6.27
Molar Refractivity 161.78

Admin

Created at
7th Sep 2020
Updated at
7th Sep 2020