CHEBI:133598 - chlortetracycline(1−)

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ChEBI Name chlortetracycline(1−)
ChEBI ID CHEBI:133598
ChEBI ASCII Name chlortetracycline(1-)
Definition An organic anion that is the major structure of chlortetracycline at pH 7.3 (according to Marvin v 6.2.0.).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C22H22ClN2O8
Net Charge -1
Average Mass 477.872
Monoisotopic Mass 477.106
InChI 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)/p-1/t7-,8-,15-,21-,22-/m0/s1
InChIKey CYDMQBQPVICBEU-XRNKAMNCSA-M
SMILES C1=CC(=C2C(=C1Cl)[C@@]([C@@]3(C(C2=O)=C([C@]4([C@@](C3)([C@@H](C(=C(C4=O)C(N)=O)[O-])[NH+](C)C)[H])O)O)[H])(C)O)[O-]
ChEBI Ontology
Outgoing chlortetracycline(1−) (CHEBI:133598) is a organic anion (CHEBI:25696)
chlortetracycline(1−) (CHEBI:133598) is conjugate base of chlortetracycline (CHEBI:27644)
Incoming chlortetracycline (CHEBI:27644) is conjugate acid of chlortetracycline(1−) (CHEBI:133598)
IUPAC Name
(5S,5aS,6aS,7S,10aS)-9-carbamoyl-4-chloro-7-(dimethylazaniumyl)-5,10a,11-trihydroxy-5-methyl-10,12-dioxo-5,5a,6,6a,7,10,10a,12-octahydrotetracene-1,8-bis(olate)
Synonym Source
7-chlorotetracycline UniProt
Manual Xref Database
CPD-19258 MetaCyc
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Last Modified
15 February 2017