11a-hydroxytetracycline

Properties Image MNX_ID MNXM162730 reference chebi:132727 formula C22H24N2O9 global charge 0 mol weight 460.439 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)C4=C(C=CC=C4O)[C@@](C)(O)[C@H]3C[C@@H]12 MNX internals InChI (mnx) InChI=1/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 (mnx) [CH3:1][C@@:20]1([OH:31])[C:8]2=[C:12]([C:10]([OH:25])=[CH:6][CH:4]=[CH:5]2)[C:16](=[O:27])[C@@:22]2([OH:33])[C@@H:11]1[CH2:7][C@H:9]1[C@H:14]([N:24]([CH3:2])[CH3:3])[C:15]([OH:26])=[C:13]([C:18](=[NH:23])[OH:29])[C:17](=[O:28])[C@@:21]1([OH:32])[C:19]2=[O:30]

Parent-child relations graph

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