Ketcher 03211611442D 1 1.00000 0.00000 0 60 62 0 1 0 999 V2000 12.2906 -8.5459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2906 -7.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4490 -7.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1656 -7.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4490 -6.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5738 -7.6035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1656 -6.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0074 -7.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2906 -5.6512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5738 -5.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6986 -8.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0074 -5.6512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6986 -9.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8233 -7.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8489 -5.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8233 -9.6570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5738 -9.6570 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9481 -8.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8489 -4.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7240 -5.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9481 -9.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8233 -10.6332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5738 -10.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0729 -7.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7240 -3.6650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0074 -3.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5657 -5.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6903 -6.6274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0729 -9.6570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4490 -11.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6986 -11.1717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5657 -4.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4409 -5.6512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4409 -3.6650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3161 -4.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1577 -3.6315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0328 -4.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1577 -2.6552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.9083 -3.6315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0665 -5.1798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9994 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7833 -4.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9994 -1.1404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8741 -2.6213 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 22.6585 -3.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5339 -4.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4091 -3.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2841 -4.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3441 -5.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5008 -5.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5608 -6.6431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7477 -7.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8076 -8.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9643 -8.7803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0242 -9.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2111 -10.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2710 -11.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1244 -4.1553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7147 -6.1818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2137 -8.2015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 2 3 1 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 3 6 1 1 0 0 4 7 1 0 0 0 4 8 1 6 0 0 5 9 1 0 0 0 5 10 1 1 0 0 11 6 1 1 0 0 7 12 1 1 0 0 11 13 1 0 0 0 11 14 1 0 0 0 15 12 1 6 0 0 13 16 1 0 0 0 13 17 1 6 0 0 14 18 1 0 0 0 15 19 1 0 0 0 15 20 1 0 0 0 16 21 1 0 0 0 16 22 1 1 0 0 17 23 1 0 0 0 18 24 1 1 0 0 19 25 1 0 0 0 19 26 1 1 0 0 20 27 1 0 0 0 20 28 1 1 0 0 21 29 1 1 0 0 23 30 1 0 0 0 23 31 2 0 0 0 25 32 1 0 0 0 27 33 1 6 0 0 32 34 1 1 0 0 7 9 1 0 0 0 18 21 1 0 0 0 27 32 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 36 38 1 6 0 0 37 39 1 0 0 0 37 40 1 1 0 0 38 41 1 0 0 0 39 42 2 0 0 0 41 43 2 0 0 0 41 44 1 0 0 0 42 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 26 58 1 0 0 0 10 59 1 0 0 0 24 60 1 0 0 0 M END > CHEBI:27731 > N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide > A glycotriaosylceramide having N-acetyl-?-D-galactosyl-(1?4)-?-D-galactosyl-(1?4)-?-D-glucosyl as the triaosyl component. > 3 > CHEBI:78545; CHEBI:5208; CHEBI:21149 > N-acetyl-beta-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramides; GgOSe3Cer; GalNAc-beta1->4LacCer; GalNAc-beta1->4Gal-beta1->4Glc-beta1->1'Cer; GA2; beta-D-GalpNAc-(1->4)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer; beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer; asialoganglioside GM2; Asialo GM2-re-N-acetylated; asialo GM2; asialo GM2; a ganglioside GA2 (d18:1(4E)); (Gal)1 (GalNAc)1 (Glc)1 (Cer)1 > N-[(2S,3R,4E)-1-{[2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]alkanamide > C39H69N2O18R > 853.969 > 853.45454 > 0 > O[C@H]1[C@H]([C@H](O[C@H]([C@@H]1O)O[C@@H]2[C@H](O[C@@H](OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)*)[C@@H]([C@H]2O)O)CO)CO)O[C@H]3[C@@H]([C@H]([C@@H](O)[C@H](O3)CO)O)NC(C)=O > C06135 > G00123 > 10497228; 10497993; 16341241; 1724444; 2430018; 2448252; 490046; 512581; 6802814; 7691279; 7691804; 7961890; 9972878; 7980468 $$$$