Terminology Service for NFDI4Health
JSON

tetracycline(1-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_71392

An organic anion that is the conjugate base of tetracycline obtained by deprotonation of the two enolic hydroxy groups and protonation of the tertiary amino group.

Term info

Label

tetracycline(1-)

Synonyms
  • (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
Subsets

3_STAR

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 [ IUPAC ]

charge

-1

formula

C22H23N2O8

has obo namespace

chebi_ontology

has related synonym

tetracycline anion

id

CHEBI:71392

inchi

InChI=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

inchikey

OFVLGDICTFRJMM-WESIUVDSSA-M

mass

443.42660

monoisotopicmass

443.14599

smiles

[H][C@@]12C[C@@]3([H])C(C(=O)c4c(O)cccc4[C@@]3(C)O)=C([O-])[C@]1(O)C(=O)C(C(N)=O)=C([O-])[C@H]2[NH+](C)C