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tetracycline zwitterion

CHEBI:CHEBI_77932

Definition

A zwitterion obtained by transfer of a proton from the 2-hydroxy group to the 1-amino group of tetracycline. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).

Chemical Information

Molecular Formula
C22H24N2O8
Molecular Mass
444.43460
Charge
0
SMILES
C[NH+](C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1[O-])C(=O)c1c(O)cccc1[C@@]3(C)O
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)/t9-,10-,15-,21+,22-/m0/s1
InChIKey
OFVLGDICTFRJMM-WESIUVDSSA-N

Alternative Names

  • tetracycline
  • (1S,4aS,11S,11aS,12aS)-3-carbamoyl-1-(dimethylazaniumyl)-4a,5,7,11-tetrahydroxy-11-methyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracen-2-olate

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

core#notation
CHEBI:77932

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Additional Attributes

oboInOwl#hasOBONamespace
chebi_ontology
oboInOwl#id
CHEBI:77932
core#notation
CHEBI:77932
RO_0000087
http://purl.obolibrary.org/obo/CHEBI_48001
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
chebi#is_conjugate_base_of
http://purl.obolibrary.org/obo/CHEBI_71392
chebi#is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_27902
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
owl#someValuesFrom
t279709
owl#annotatedSource
t296817