Ketcher 05181715422D 1 1.00000 0.00000 0 39 40 0 1 0 999 V2000 11.2854 -3.2610 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.9618 -4.8566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8736 -9.2187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4563 -5.7188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1365 -9.2187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8350 -4.8180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5060 -6.8511 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5241 -4.0589 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0115 -4.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6199 -4.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5097 -5.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2817 -3.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4692 -3.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5886 -4.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0115 -5.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5097 -6.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4763 -3.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5060 -5.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4600 -5.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3385 -4.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0115 -7.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0115 -8.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3220 -6.2206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2006 -3.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7357 -8.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4728 -8.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5978 -9.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3220 -7.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3385 -5.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4728 -7.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0756 -4.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9377 -3.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7357 -7.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3220 -9.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7998 -4.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9377 -2.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6620 -3.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3733 -3.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5241 -5.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 1 12 1 0 0 0 14 2 1 1 0 0 2 19 1 0 0 0 3 22 1 0 0 0 3 25 1 0 0 0 4 19 2 0 0 0 5 22 2 0 0 0 6 9 1 0 0 0 6 10 2 0 0 0 16 7 1 6 0 0 8 37 1 0 0 0 8 38 1 0 0 0 8 39 1 0 0 0 9 11 1 0 0 0 9 12 2 0 0 0 10 13 1 0 0 0 11 15 1 0 0 0 11 18 1 6 0 0 13 14 1 0 0 0 14 17 1 0 0 0 15 16 1 0 0 0 16 21 1 0 0 0 17 20 2 0 0 0 19 23 1 0 0 0 20 24 1 0 0 0 20 29 1 0 0 0 21 22 1 0 0 0 23 28 2 0 0 0 24 31 2 0 0 0 25 27 1 0 0 0 25 33 1 1 0 0 26 27 1 0 0 0 26 30 2 0 0 0 26 34 1 0 0 0 28 30 1 0 0 0 31 32 1 0 0 0 32 35 2 0 0 0 32 36 1 0 0 0 35 37 1 0 0 0 M END > CHEBI:134184 > pateamine > A marine macrodiolide that is isolated from the sponge Mycale hentscheli and exhibits anticancer and antiviral properties > 3 > Pateamine A; (-)-pateamine > (3S,6Z,8E,11S,15R,17S)-15-amino-3-[(1E,3E,5E)-7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11,17-trimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione > C31H45N3O4S > 555.774 > 555.31308 > 0 > S1C2=NC([C@H](C[C@@H](N)CC(O[C@H](CC(=CC=CC(O[C@@H](C2)/C=C(/C=C/C(=C/CN(C)C)/C)\C)=O)C)C)=O)C)=C1 > InChI=1S/C31H45N3O4S/c1-21(13-14-34(6)7)11-12-23(3)16-27-19-29-33-28(20-39-29)24(4)17-26(32)18-31(36)37-25(5)15-22(2)9-8-10-30(35)38-27/h8-13,16,20,24-27H,14-15,17-19,32H2,1-7H3/b10-8-,12-11+,21-13+,22-9+,23-16+/t24-,25-,26+,27+/m0/s1 > DSPNTLCJTJBXTD-IRNRRZNASA-N > 139220-18-1 > 8094393 > C19917 > 22623775; 22692539; 24459774; 24471581; 26057151; 26764022; 26773380; 27061139; 27180995; 27282465; 27789529 $$$$