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11a-hydroxytetracycline

Properties

Image

Occurences in reactions

MNX_ID

MNXM162730

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₂₂H₂₄N₂O₉

charge

mass

460.14818

reference

chebi:132727

InChIKey

FWVRSACGGAUWNP-BWOONYPSSA-N

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

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:132727 chebi:132727	11a-hydroxytetracycline (1S,4aR5aS,11S,11aR,12aS)-3-carbamoyl-1-(dimethylazaniumyl)-4a,5a,7,11-tetrahydroxy-11-methyl-4,5,6-trioxo-1,4,4a,5,5a,6,11,11a,12,12a-decahydrotetracen-2-olate 11a-hydroxytetracycline zwitterion
kegg.compound:C21391 keggC:C21391	11a-Hydroxytetracycline
metacyc.compound:CPD-19252 metacycM:CPD-19252 seed.compound:cpd34835 seedM:cpd34835	11a-hydroxytetracycline
CHEBI:134017 chebi:134017	11a-hydroxytetracycline (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
keggC:M_C21391 seedM:M_cpd34835	secondary/obsolete/fantasy identifier