Marvin 09131110432D 26 28 0 0 1 0 999 V2000 13.8248 -16.0888 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8248 -16.9138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1103 -17.3263 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1102 -18.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8247 -18.5638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5392 -18.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5392 -17.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3238 -17.0714 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8088 -17.7389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3238 -18.4063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5788 -19.1911 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0938 -19.8584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5787 -20.5260 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3237 -21.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5227 -21.5081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3633 -20.2710 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0308 -20.7560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3634 -19.4460 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0308 -18.9611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5393 -15.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2538 -16.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9682 -15.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6827 -16.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9682 -14.8513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3957 -18.5637 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.6813 -18.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 11 10 1 1 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 1 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 6 0 0 0 16 18 1 0 0 0 0 18 19 1 6 0 0 0 1 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 4 25 1 0 0 0 0 25 26 1 0 0 0 0 M END > CHEBI:62875 > 2-methylthio-N(6)-(Delta(2)-isopentenyl)adenosine > A nucleoside analogue in which adenosine has been modified by substitution at C-2 by a methylthio (methylsulfanyl) group and at the 6-amino nitrogen by a Δ2-isopentenyl group. > 3 > N(6)-(delta(2)-Isopentenyl)-2-methylthioadenosine; ms2i6a; 2-Mtia; 2-Methylthio-N-6-isopentenyladenosine; 2-Methylthio-N(6)-isopentenyladenosine; 2-Methyl-thio-N-6-isopentyladenosine > N-(3-methylbut-2-en-1-yl)-2-(methylsulfanyl)adenosine > C16H23N5O4S > 381.45000 > 381.14708 > 0 > CSc1nc(NCC=C(C)C)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 > InChI=1S/C16H23N5O4S/c1-8(2)4-5-17-13-10-14(20-16(19-13)26-3)21(7-18-10)15-12(24)11(23)9(6-22)25-15/h4,7,9,11-12,15,22-24H,5-6H2,1-3H3,(H,17,19,20)/t9-,11-,12-,15-/m1/s1 > VZQXUWKZDSEQRR-SDBHATRESA-N > 20859-00-1 > 1231165 > 20859-00-1 $$$$