Mrv0541 04161414082D 32 33 0 0 0 0 999 V2000 4.5934 -2.6291 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3383 -3.4246 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8250 -4.0997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4899 -3.4246 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0035 -4.0910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2296 -2.6257 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9177 -2.1297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2277 -1.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 -1.3990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -1.8290 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.8083 -2.6537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0636 -1.4342 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5935 -1.0253 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5155 -3.0457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5929 -1.8032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9251 -1.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1793 -0.5340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2599 -1.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0044 -0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0447 -1.5720 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3086 -3.0457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4213 0.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2463 0.1743 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0130 0.8960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6629 0.8863 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4879 0.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2546 1.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8962 0.1646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9046 1.5935 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.6713 2.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2631 3.0321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4963 2.3103 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 7 1 1 0 0 0 0 2 3 1 6 0 0 0 4 2 1 0 0 0 0 4 5 1 6 0 0 0 6 4 1 0 0 0 0 7 6 1 0 0 0 0 6 8 1 0 0 0 0 9 8 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 6 14 1 6 0 0 0 1 15 1 0 0 0 0 15 16 1 0 0 0 0 17 16 2 0 0 0 0 18 15 1 0 0 0 0 19 17 1 0 0 0 0 19 18 2 0 0 0 0 18 20 1 0 0 0 0 1 21 1 6 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 25 23 1 1 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 27 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 M CHG 4 12 -1 13 -1 29 -1 32 -1 M END > CHEBI:58443 > SAICAR(4-) > An organophosphate oxoanion that is the tetraanionic form of SAICAR. It is the major species at pH 7.3. > 3 > (2S)-2-(5-amino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamido)succinate > 5-amino-N-[(1S)-1,2-dicarboxylatoethyl]-1-(5-O-phosphonato-beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide; (2S)-2-[5-amino-1-(5-O-phosphonato-beta-D-ribosyl)imidazole-4-carboxamido]succinate > C13H15N4O12P > 450.25380 > 450.04460 > -4 > Nc1c(ncn1[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](CC([O-])=O)C([O-])=O > InChI=1S/C13H19N4O12P/c14-10-7(11(22)16-4(13(23)24)1-6(18)19)15-3-17(10)12-9(21)8(20)5(29-12)2-28-30(25,26)27/h3-5,8-9,12,20-21H,1-2,14H2,(H,16,22)(H,18,19)(H,23,24)(H2,25,26,27)/p-4/t4-,5+,8+,9+,12+/m0/s1 > NAQGHJTUZRHGAC-ZZZDFHIKSA-J > P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE > 23086999; 24606918 $$$$