Ketcher 03071800232D 1 1.00000 0.00000 0 29 29 0 1 0 999 V2000 12.4588 -9.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3275 -7.8586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5900 -7.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3275 -9.8578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5900 -9.8578 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1878 -8.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5941 -6.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7254 -8.3530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1899 -9.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3275 -10.8552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5941 -10.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0544 -7.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7254 -6.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4588 -6.3538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7337 -11.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4545 -11.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9230 -8.3493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0523 -6.8484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7254 -5.3563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4588 -8.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4588 -7.3512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5930 -4.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4606 -5.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3281 -4.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1957 -5.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5930 -3.8536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0633 -4.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0632 -3.8535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9310 -5.3562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20 1 1 0 0 0 20 2 1 0 0 0 20 3 1 0 0 0 1 4 1 0 0 0 1 5 1 1 0 0 2 6 1 0 0 0 3 7 1 0 0 0 3 8 1 6 0 0 4 9 1 0 0 0 4 10 1 6 0 0 5 11 1 0 0 0 6 12 1 0 0 0 7 13 1 0 0 0 7 14 1 1 0 0 11 15 1 0 0 0 11 16 2 0 0 0 12 17 1 0 0 0 12 18 2 0 0 0 13 19 1 0 0 0 6 9 2 0 0 0 20 21 1 1 0 0 19 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 22 26 2 0 0 0 28 27 2 0 0 0 29 27 1 0 0 0 25 27 1 0 0 0 M END > CHEBI:132990 > 2,9-dideoxy-9-glutaramido-2,3-dehydo-N-acetylneuraminic acid > N-Acetylneuraminic acid reduced across the 2,3-bond with loss of the hydroxy group at C-2 and in which the 9-hydroxy group is substituted by a glutaramido group. > 3 > 5-acetamido-2,6-anhydro-9-glutaramido-3,5,9-trideoxy-D-glycero-D-galacto-non-2-enonic acid > 5-acetamido-2,6-anhydro-9-(4-carboxybutanamido)-3,5,9-trideoxy-D-glycero-D-galacto-non-2-enonic acid > C16H24N2O10 > 404.370 > 404.14309 > 0 > [C@@H]1([C@@](OC(C(O)=O)=C[C@@H]1O)([C@@H]([C@@H](CNC(CCCC(=O)O)=O)O)O)[H])NC(C)=O > InChI=1S/C16H24N2O10/c1-7(19)18-13-8(20)5-10(16(26)27)28-15(13)14(25)9(21)6-17-11(22)3-2-4-12(23)24/h5,8-9,13-15,20-21,25H,2-4,6H2,1H3,(H,17,22)(H,18,19)(H,23,24)(H,26,27)/t8-,9+,13+,14+,15+/m0/s1 > DLDXETGOWJUNDZ-NIQAVCIQSA-N > 8365789 > 10399297 $$$$