Structure Database (LMSD)

O O NH 2 OH H H HO HO HO N OH O OH
Common Name
Oxytetracycline
Systematic Name
Synonyms
LM ID
LMPK07000005
Formula
C22H24N2O9
Exact Mass
Calculate m/z
460.148183
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Linear tetracyclines [PK07]

String Representations

InChiKey (Click to copy)
IWVCMVBTMGNXQD-PXOLEDIWSA-N
InChi (Click to copy)
InChI=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,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1
SMILES (Click to copy)
[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)C3C(=C(O)C=CC=3)C1=O)[C@@H]2O)O

References

Other Databases

Wikipedia
Oxytetracycline
KEGG ID
C06624
CHEBI ID
133011
PubChem CID
54675779
Cayman ID
18076
PDB ID
OTC

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 4
Aromatic Rings 1
Rotatable Bonds 2
Van der Waals Molecular Volume 408.81
Topological Polar Surface Area 201.85
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 10
logP -0.38
Molar Refractivity 112.47

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Created at
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Updated at
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