Marvin 05131012182D 36 39 0 0 0 0 999 V2000 2.6392 -0.6647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0681 0.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0681 -0.6647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3376 -0.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3536 -1.0772 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8527 0.4153 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8527 -0.9196 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6879 -2.3498 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4329 -3.1344 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8454 -3.8488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6079 -3.1344 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1954 -3.8488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0204 -1.8648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3530 -2.3498 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6385 -1.9373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9241 -2.3498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0991 -1.5248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0991 -3.1748 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0991 -2.3498 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.2741 -2.3498 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3536 0.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3536 1.3978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6392 0.1603 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9247 0.5728 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6698 1.3574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2573 0.0879 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0437 -0.7090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5898 0.5729 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1246 0.1604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8448 1.3574 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2614 1.9408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4531 1.5283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2781 2.3533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2781 0.7033 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2781 1.5283 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.1031 1.5283 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 21 23 1 0 0 0 0 21 2 1 0 0 0 0 23 1 1 0 0 0 0 1 5 2 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 2 3 2 0 0 0 0 3 7 1 0 0 0 0 6 4 2 0 0 0 0 7 4 1 0 0 0 0 13 14 1 0 0 0 0 13 8 1 0 0 0 0 14 11 1 0 0 0 0 11 9 1 0 0 0 0 9 8 1 0 0 0 0 8 7 1 1 0 0 0 9 10 1 6 0 0 0 11 12 1 6 0 0 0 14 15 1 1 0 0 0 15 16 1 0 0 0 0 16 19 1 0 0 0 0 19 17 2 0 0 0 0 19 18 1 0 0 0 0 19 20 1 0 0 0 0 21 22 2 0 0 0 0 24 23 1 1 0 0 0 25 30 1 0 0 0 0 25 24 1 0 0 0 0 30 28 1 0 0 0 0 28 26 1 0 0 0 0 26 24 1 0 0 0 0 26 27 1 6 0 0 0 28 29 1 6 0 0 0 30 31 1 1 0 0 0 31 32 1 0 0 0 0 32 35 1 0 0 0 0 35 33 2 0 0 0 0 35 34 1 0 0 0 0 35 36 1 0 0 0 0 M CHG 4 18 -1 20 -1 34 -1 36 -1 M END > CHEBI:59457 > 1-(5-phosphonato-beta-D-ribosyl)-5'-AMP(4-) > A nucleotide-sugar oxoanion arising from deprotonation of all four phosphate OH groups of 1-(5-phospho-β-D-ribosyl)-5'-AMP; major species at pH 7.3. > 3 > 1-(5-phosphonato-beta-D-ribosyl)-5'-AMP tetraanion; 1-(5-phospho-beta-D-ribosyl)-5'-AMP > 1-(5-phosphonato-beta-D-ribofuranosyl)-5'-adenylate; 1-(5-O-phosphonato-beta-D-ribofuranosyl)adenosine 5'-phosphate > C15H19N5O14P2 > 555.28400 > 555.04257 > -4 > O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])([O-])=O)n1cnc2c1ncn([C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O)c2=N > InChI=1S/C15H23N5O14P2/c16-12-7-13(18-4-19(12)14-10(23)8(21)5(33-14)1-31-35(25,26)27)20(3-17-7)15-11(24)9(22)6(34-15)2-32-36(28,29)30/h3-6,8-11,14-16,21-24H,1-2H2,(H2,25,26,27)(H2,28,29,30)/p-4/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1 > RTQMRTSPTLIIHM-KEOHHSTQSA-J $$$$