Marvin 07191014422D 27 29 0 0 1 0 999 V2000 10.1253 -20.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6773 -21.4528 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 10.4224 -22.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6154 -22.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3605 -23.1936 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5535 -23.3652 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.9125 -23.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6575 -24.5914 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.7194 -23.6352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4843 -21.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7392 -20.4967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2543 -19.8293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7392 -19.1618 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5238 -19.4168 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1913 -18.9318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5238 -20.2418 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1913 -20.7267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4843 -18.3772 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9692 -17.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4843 -17.0423 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6997 -17.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6997 -18.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9852 -18.5347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2707 -18.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2707 -17.2972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9852 -16.8847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9852 -16.0597 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 3 1 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 1 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 11 10 1 1 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 1 0 0 0 14 15 1 6 0 0 0 14 16 1 0 0 0 0 16 17 1 6 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 M CHG 3 2 1 6 1 8 -1 M END > CHEBI:59789 > S-adenosyl-L-methionine zwitterion > A zwitterionic tautomer of S-adenosyl-L-methionine arising from shift of the proton from the carboxy group to the amino group. > 3 > S-adenosyl-L-methionine; S-adenosyl-L-methionine > [(3S)-3-azaniumyl-3-carboxylatopropyl](5'-deoxyadenosin-5'-yl)(methyl)sulfonium > C15H23N6O5S > 399.44500 > 399.14452 > 1 > C[S+](CC[C@H]([NH3+])C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 > InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7-,8+,10+,11+,14+,27?/m0/s1 > MEFKEPWMEQBLKI-AIRLBKTGSA-O $$$$