Marvin 07261216172D 35 37 0 0 1 0 999 V2000 6.6586 -7.2451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3730 -6.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3730 -6.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0876 -7.2451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9441 -6.0077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8019 -6.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8019 -6.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5164 -5.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9454 -5.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3742 -5.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6598 -6.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9454 -4.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6598 -4.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3742 -4.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0887 -4.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0887 -3.5325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8031 -4.7700 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5176 -1.8825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5176 -4.3575 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9465 -4.3575 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 15.2320 -4.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2320 -5.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5176 -3.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2321 -3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2321 -2.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9465 -1.8825 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.6586 -5.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6586 -4.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9441 -6.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2297 -7.2451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2309 -6.0077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0876 -5.5952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8020 -4.3577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0876 -4.7702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3730 -4.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29 1 2 0 0 0 0 29 5 1 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 32 1 0 0 0 0 3 27 1 0 0 0 0 32 7 1 0 0 0 0 6 4 1 0 0 0 0 27 5 1 0 0 0 0 7 8 1 0 0 0 0 8 31 1 0 0 0 0 31 9 1 0 0 0 0 11 9 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 17 1 0 0 0 0 15 16 2 0 0 0 0 19 17 1 1 0 0 0 25 18 2 0 0 0 0 19 23 1 0 0 0 0 19 21 1 0 0 0 0 21 20 1 0 0 0 0 21 22 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 6 7 1 0 0 0 0 27 28 2 0 0 0 0 29 30 1 0 0 0 0 32 34 1 0 0 0 0 34 33 2 0 0 0 0 34 35 1 0 0 0 0 M CHG 2 20 -1 26 -1 M END > CHEBI:65340 > 5-formyltetrahydrofolate(2-) > A dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of 5-formyltetrahydrofolic acid. > 3 > (2S)-2-[(4-{[(2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}benzoyl)amino]pentanedioate > C20H21N7O7 > 471.42340 > 471.15134 > -2 > [H]C(=O)N1C(CNc2ccc(cc2)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)CNc2nc(N)[nH]c(=O)c12 > InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/p-2/t12?,13-/m0/s1 > VVIAGPKUTFNRDU-ABLWVSNPSA-L $$$$