CHEBI:71392 - tetracycline(1−)

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ChEBI Name tetracycline(1−)
ChEBI ID CHEBI:71392
ChEBI ASCII Name tetracycline(1-)
Definition 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Eugeni Belda
Supplier Information
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Formula C22H23N2O8
Net Charge -1
Average Mass 443.42660
Monoisotopic Mass 443.14599
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
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
ChEBI Ontology
Outgoing tetracycline(1−) (CHEBI:71392) is a organic anion (CHEBI:25696)
tetracycline(1−) (CHEBI:71392) is conjugate base of tetracycline (CHEBI:27902)
tetracycline(1−) (CHEBI:71392) is conjugate base of tetracycline zwitterion (CHEBI:77932)
Incoming tetracycline (CHEBI:27902) is conjugate acid of tetracycline(1−) (CHEBI:71392)
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 anion ChEBI
Last Modified
10 June 2014