Ketcher 02082210352D 1 1.00000 0.00000 0 33 35 0 1 0 999 V2000 9.0030 -8.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0030 -7.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8691 -8.6012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1370 -8.6012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8691 -6.6012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1370 -6.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7351 -8.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2710 -8.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7351 -7.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8691 -5.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2710 -7.1012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1370 -5.6011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4050 -8.6012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6011 -6.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4672 -7.1012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3332 -6.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3332 -5.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1992 -7.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1992 -5.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0652 -6.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0652 -5.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9312 -5.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7973 -5.6011 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9312 -4.1012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6633 -5.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6633 -4.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5294 -5.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7973 -3.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5294 -6.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3954 -5.1012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7973 -2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6633 -2.1012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9312 -2.1012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 4 8 2 0 0 0 5 9 1 0 0 0 5 10 1 0 0 0 6 11 1 0 0 0 6 12 2 0 0 0 8 13 1 0 0 0 9 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 16 18 1 0 0 0 17 19 1 0 0 0 18 20 2 0 0 0 19 21 2 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 22 24 2 0 0 0 25 23 1 1 0 0 25 26 1 0 0 0 25 27 1 0 0 0 26 28 1 0 0 0 27 29 2 0 0 0 27 30 1 0 0 0 28 31 1 0 0 0 31 32 1 0 0 0 31 33 2 0 0 0 7 9 1 0 0 0 8 11 1 0 0 0 20 21 1 0 0 0 M CHG 2 30 -1 32 -1 M END > CHEBI:189667 > 5-methyltetrahydrofolate(2-) > A dicarboxylic acid dianion resulting from the deprotonation of the two carboxy groups of 5-methyltetrahydrofolic acid; major species at pH 7.3. > 3 > N-(5-methyl-5,6,7,8-tetrahydropteroyl)-L-glutamate(2-); 5-methyltetrahydrofolic acid dianion > (2S)-2-(4-{[(2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}benzamido)pentanedioate > C20H23N7O6 > 457.448 > 457.17208 > -2 > CN1C(CNC2=CC=C(C=C2)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)CNC2=C1C(=O)NC(N)=N2 > InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/p-2/t12?,13-/m0/s1 > ZNOVTXRBGFNYRX-ABLWVSNPSA-L $$$$