OntologiesphipoclassesCHEBI:77906   
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minocycline zwitterionImported
http://purl.obolibrary.org/obo/CHEBI_77906

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

Defined bychebi
Also appears inslmdrongoupheno
Exact Synonyms
(1S,4aS,11aR,12aS)-3-carbamoyl-10-(dimethylamino)-1-(dimethylazaniumyl)-4a,5,7-trihydroxy-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracen-2-olate
Related Synonyms
minocycline
class Information
charge

0

formula

C23H27N3O7

has_obo_namespace

chebi_ontology

inchi

InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1

inchikey

DYKFCLLONBREIL-KVUCHLLUSA-N

in_subset

3_STAR

mass

457.47640

monoisotopicmass

457.18490

smiles

CN(C)c1ccc(O)c2C(=O)C3=C(O)[C@@]4(O)[C@@H](C[C@@H]3Cc12)[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C4=O

class Relations