EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:71392 - tetracycline(1−)

ChEBI IDCHEBI:71392
ChEBI Nametetracycline(1−)
Stars
ASCII Nametetracycline(1-)
DefinitionAn organic anion that is the conjugate base of tetracycline zwitterion obtained by deprotonation of the two enolic hydroxy groups and protonation of the tertiary amino group.
Last Modified23 August 2024
SubmitterEugeni Belda
DownloadsMolfile
FormulaC22H23N2O8
Net Charge-1
Average Mass443.432
Monoisotopic Mass443.14599
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)cccc1[C@@]2(C)O
InChIInChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/p-1/t9-,10-,15-,21+,22-/m0/s1
InChIKeyOFVLGDICTFRJMM-WESIUVDSSA-M
ChEBI Ontology
Outgoing Relation(s)
tetracycline(1−) (CHEBI:71392) is a organic anion (CHEBI:25696)
tetracycline(1−) (CHEBI:71392) is conjugate base of tetracycline zwitterion (CHEBI:77932)
Incoming Relation(s)
tetracycline zwitterion (CHEBI:77932) is conjugate acid of tetracycline(1−) (CHEBI:71392)
IUPAC Name 
(1S,4aS,11S,11aS,12aS)-3-carbamoyl-1-(dimethylazaniumyl)-4a,7,11-trihydroxy-11-methyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracene-2,5-diolate
Synonym  Source
tetracycline anionChEBI