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11a-hydroxytetracycline

Go to external page http://purl.obolibrary.org/obo/CHEBI_134017

A member of the class of tetracyclines obtained by selective hydroxylation at position 11a of tetracycline.

Term info

Label

11a-hydroxytetracycline

Synonyms
  • (4S,4aS,5aR,6S,11aS,12aR)-4-(dimethylamino)-3,6,10,11a,12a-pentahydroxy-6-methyl-1,11,12-trioxo-1,4,4a,5,5a,6,11,11a,12,12a-decahydrotetracene-2-carboxamide
database cross reference
Subsets

3_STAR

IUPAC NAME
(4S,4aS,5aR,6S,11aS,12aR)-4-(dimethylamino)-3,6,10,11a,12a-pentahydroxy-6-methyl-1,11,12-trioxo-1,4,4a,5,5a,6,11,11a,12,12a-decahydrotetracene-2-carboxamide [ IUPAC ]

charge

0

formula

C22H24N2O9

has obo namespace

chebi_ontology

id

CHEBI:134017

inchi

InChI=1S/C22H24N2O9/c1-20(31)8-5-4-6-10(25)12(8)16(27)22(33)11(20)7-9-14(24(2)3)15(26)13(18(23)29)17(28)21(9,32)19(22)30/h4-6,9,11,14,25-26,31-33H,7H2,1-3H3,(H2,23,29)/t9-,11+,14-,20+,21+,22-/m0/s1

inchikey

FWVRSACGGAUWNP-BWOONYPSSA-N

mass

460.435

monoisotopicmass

460.14818

smiles

C12=CC=CC(=C1C([C@]3([C@](C[C@]4([C@@H](C(O)=C(C([C@@]4(O)C3=O)=O)C(N)=O)N(C)C)[H])([C@]2(C)O)[H])O)=O)O