Structure Database (LMSD)

Common Name
Rabelomycin
Systematic Name
Synonyms
LM ID
LMPK08000001
Formula
C19H14O6
Exact Mass
Calculate m/z
338.07904
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Angucyclines [PK08]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Streptomyces olivaceus (#47716)
Actinomycetes (#1760)
Isolation, characterization, and structure of rabelomycin, a new antibiotic.,
J Antibiot (Tokyo), 1970
Pubmed ID: 5459625

String Representations

InChiKey (Click to copy)
JJOLHRYZQSDLSA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H14O6/c1-19(25)6-8-5-11(21)15-16(13(8)12(22)7-19)17(23)9-3-2-4-10(20)14(9)18(15)24/h2-5,20-21,25H,6-7H2,1H3
SMILES (Click to copy)
C1=CC2C(=O)C3C4C(=O)CC(O)(C)CC=4C=C(O)C=3C(=O)C=2C(O)=C1

Other Databases

PubChem CID
168797

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 4
Aromatic Rings 2
Rotatable Bonds 0
Van der Waals Molecular Volume 295.00
Topological Polar Surface Area 111.90
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 2.04
Molar Refractivity 86.87

Admin

Created at
-
Updated at
14th Jan 2021