Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPK07000005
Common NameOxytetracycline (W)
Systematic Name-
Synonyms-
Exact Mass
460.1482 (neutral)    Calculate m/z:
FormulaC22H24N2O9
CategoryPolyketides [PK]
Main ClassLinear tetracyclines [PK07]
Sub Class-
PubChem CID54675779
KEGG IDC06624
CAYMAN ID18076
InChIKeyIWVCMVBTMGNXQD-PXOLEDIWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)
16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H
2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1
SMILES[C@]12([H])[C@H](N(C)C)C(=C(C(=O)N)C(=O)[C@@]1(O)C(O)=C1[C@@]([H])([C@@](O)(C)C3
C(=C(O)C=CC=3)C1=O)[C@@H]2O)O
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms33Rings4Aromatic Rings1Rotatable Bonds2
 van der Waals
Molecular Volume
408.81Topological Polar
Surface Area
201.85Hydrogen
Bond Donors
7Hydrogen
Bond Acceptors
10
 logP-0.38Molar
Refractivity
112.47