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CHEBI:133598 - chlortetracycline(1−)

ChEBI IDCHEBI:133598
ChEBI Namechlortetracycline(1−)
Stars
ASCII Namechlortetracycline(1-)
DefinitionAn organic anion that is the major structure of chlortetracycline at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified15 February 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC22H22ClN2O8
Net Charge-1
Average Mass477.877
Monoisotopic Mass477.10702
SMILES[H][C@]12C[C@@]3([H])[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C(=O)c1c([O-])ccc(Cl)c1[C@@]2(C)O
InChIInChI=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
InChIKeyCYDMQBQPVICBEU-XRNKAMNCSA-M
ChEBI Ontology
Outgoing Relation(s)
chlortetracycline(1−) (CHEBI:133598) is a organic anion (CHEBI:25696)
chlortetracycline(1−) (CHEBI:133598) is conjugate base of chlortetracycline (CHEBI:27644)
Incoming Relation(s)
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)
UniProt Name  Source
7-chlorotetracyclineUniProt
Manual XrefsDatabases
CPD-19258MetaCyc