Marvin 07151015242D 28 28 0 0 1 0 999 V2000 15.1613 -6.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4467 -7.0405 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8757 -7.0405 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 15.1613 -5.8030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4467 -7.8655 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 13.7323 -6.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0178 -9.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0178 -10.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4467 -9.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7323 -10.7530 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 14.4467 -10.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7323 -9.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1611 -9.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8757 -9.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3034 -10.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3034 -9.1030 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 13.7323 -8.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5901 -9.1030 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 17.3231 -9.4787 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 16.5901 -8.2780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8038 -9.8815 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 13.0177 -7.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3033 -6.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5888 -7.0400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8744 -6.6274 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1599 -7.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4455 -6.6272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1597 -7.8648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 4 1 2 0 0 0 0 3 1 1 0 0 0 0 2 6 1 0 0 0 0 2 5 1 1 0 0 0 16 7 1 0 0 0 0 8 7 2 0 0 0 0 15 8 1 0 0 0 0 13 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 11 10 2 0 0 0 0 7 12 1 0 0 0 0 12 9 2 0 0 0 0 17 12 1 0 0 0 0 14 13 1 0 0 0 0 5 17 1 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 6 22 1 0 0 0 0 22 23 1 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 26 27 1 0 0 0 0 26 28 2 0 0 0 0 M CHG 6 3 -1 5 1 10 1 16 -1 19 -1 21 -1 M END > CHEBI:59766 > N(6)-acetyl-N(2)-(5'-phosphonatopyridoxyl)-L-lysinate(2-) > An organophosphate oxoanion that is the dianion of N6-acetyl-N2-(5'-phosphopyridoxyl)-L-alanine having anionic carboxy, hydroxy and phosphate groups with the secondary amino group and pyridine nitrogen protonated. > 3 > N(epsilon)-acetyl-N(alpha)-(5'-phosphonatopyridoxyl)-L-lysinate(2-); N(6)-acetyl-N(2)-(5'-phosphonatopyridoxyl)-L-lysinate dianion > (2S)-6-acetamido-2-[({2-methyl-3-oxido-5-[(phosphonatooxy)methyl]pyridinium-4-yl}methyl)azaniumyl]hexanoate > C16H24N3O8P > 417.35080 > 417.13120 > -2 > CC(=O)NCCCC[C@H]([NH2+]Cc1c(COP([O-])([O-])=O)c[nH+]c(C)c1[O-])C([O-])=O > InChI=1S/C16H26N3O8P/c1-10-15(21)13(12(7-18-10)9-27-28(24,25)26)8-19-14(16(22)23)5-3-4-6-17-11(2)20/h7,14,19,21H,3-6,8-9H2,1-2H3,(H,17,20)(H,22,23)(H2,24,25,26)/p-2/t14-/m0/s1 > ZQGOSPTVQVGUON-AWEZNQCLSA-L > 16790434 $$$$