Marvin 11161016452D 44 47 0 0 1 0 999 V2000 10.9363 -8.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6391 -8.8305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6391 -9.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9363 -10.0528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2030 -9.6555 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5002 -10.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7669 -9.6555 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0641 -10.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3308 -9.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6280 -10.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8947 -9.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8947 -8.8305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6280 -8.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3308 -8.8305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0641 -8.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7669 -8.8305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5002 -8.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2030 -8.8305 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3724 -8.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3724 -7.5778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0752 -8.8305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0641 -7.5778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9363 -7.5778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2030 -8.0055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5002 -7.5778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6280 -7.5778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3724 -10.0528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1919 -8.4028 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6280 -10.9084 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8947 -11.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3308 -11.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9363 -10.9084 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6391 -11.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2030 -11.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2030 -10.4805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7669 -10.4805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4729 -8.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7590 -8.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4717 -9.6416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0416 -8.8166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0416 -9.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3271 -10.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7560 -10.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0416 -10.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 18 1 1 0 0 0 0 23 1 2 0 0 0 0 3 2 2 0 0 0 0 19 2 1 0 0 0 0 4 3 1 0 0 0 0 27 3 1 0 0 0 0 5 4 1 0 0 0 0 4 32 1 1 0 0 0 6 5 1 0 0 0 0 18 5 1 0 0 0 0 5 35 1 1 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 16 7 1 0 0 0 0 7 36 1 1 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 14 9 2 0 0 0 0 11 10 2 0 0 0 0 29 10 1 0 0 0 0 12 11 1 0 0 0 0 13 12 2 0 0 0 0 28 12 1 0 0 0 0 14 13 1 0 0 0 0 26 13 1 0 0 0 0 15 14 1 0 0 0 0 16 15 1 0 0 0 0 22 15 2 0 0 0 0 17 16 2 0 0 0 0 18 17 1 0 0 0 0 25 17 1 0 0 0 0 18 24 1 1 0 0 0 20 19 2 0 0 0 0 21 19 1 0 0 0 0 30 29 1 0 0 0 0 31 29 1 0 0 0 0 33 32 1 0 0 0 0 34 32 1 0 0 0 0 28 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 2 0 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 41 44 1 0 0 0 0 M END > CHEBI:149836 > tigecycline > Tetracycline in which the hydroxy group at position 5 and the methyl group at position 6 are replaced by hydrogen, and with a dimethylamino substituent and an (N-tert-butylglycyl)amino substituent at positions 7 and 9, respectively. A glycylcycline antibiotic, it has activity against a broad range of Gram-positive and Gram-negative bacteria, including tetracycline-resistant organisms. It is used for the intravenous treatment of complicated skin and skin structure infections caused by susceptible organisms. > 3 > CHEBI:473970; CHEBI:29696 > (4S,4aS,5aR,12aS)-9-(2-(tert-butylamino)acetamido)-4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide > (4S,4aS,5aR,12aS)-9-[(N-tert-butylglycyl)amino]-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide > C29H39N5O8 > 585.64870 > 585.27986 > 0 > [H][C@@]12Cc3c(cc(NC(=O)CNC(C)(C)C)c(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2)N(C)C > InChI=1S/C29H39N5O8/c1-28(2,3)31-11-17(35)32-15-10-16(33(4)5)13-8-12-9-14-21(34(6)7)24(38)20(27(30)41)26(40)29(14,42)25(39)18(12)23(37)19(13)22(15)36/h10,12,14,21,31,36,38-39,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35)/t12-,14-,21-,29-/m0/s1 > FPZLLRFZJZRHSY-HJYUBDRYSA-N > 220620-09-7 > 8379453 > 220620-09-7 > DB00560 > C12012 > D01079 > 17194827; 17210772; 17220399; 17307973; 17353238; 17353249 $$$$