Structure Database (LMSD)

Common Name
Chlortetracycline
Systematic Name
Synonyms
LM ID
LMPK07000004
Formula
C22H23N2O8Cl
Exact Mass
Calculate m/z
478.114296
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Kitasatospora aureofaciens (#1894)
Actinomycetes (#1760)
Some historical notes on chlortetracycline.,
Rev Infect Dis, 1985
Pubmed ID: 3903946

String Representations

InChiKey (Click to copy)
CYDMQBQPVICBEU-XRNKAMNCSA-N
InChi (Click to copy)
InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/t7-,8-,15-,21-,22-/m0/s1
SMILES (Click to copy)
[C@@]12([H])C[C@@]3([H])C(C(=O)C4C(=C(Cl)C=CC=4O)[C@]3(O)C)=C(O)[C@]1(O)C(=O)C(=C(O)[C@H]2N(C)C)C(=O)N

Other Databases

Wikipedia
Chlortetracycline
KEGG ID
C06571
CHEBI ID
27644
PubChem CID
54675777
Cayman ID
23302
PDB ID
CTC

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 4
Aromatic Rings 1
Rotatable Bonds 2
Van der Waals Molecular Volume 415.23
Topological Polar Surface Area 181.62
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 10
logP 1.01
Molar Refractivity 115.57

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Created at
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Updated at
12th Dec 2023