Marvin 04161009152D 69 73 0 0 1 0 999 V2000 11.9338 -2.6673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2193 -3.0798 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5048 -2.6673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7905 -3.0798 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7905 -3.9048 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5048 -4.3172 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2193 -3.9048 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0759 -4.3172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3615 -4.7297 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6471 -4.3172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9326 -4.7297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9326 -5.5547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6471 -5.9672 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3615 -5.5547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2181 -5.9672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5037 -6.3797 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7893 -5.9672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0748 -6.3797 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0748 -7.2047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7893 -7.6172 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5037 -7.2047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7893 -8.4421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0748 -8.8546 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3519 -8.4571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6462 -8.8843 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6634 -9.7092 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3862 -10.1067 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0920 -9.6795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2181 -7.6172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2181 -8.4421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9326 -8.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5037 -8.8546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5048 -5.1422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0759 -2.6673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2181 -4.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6471 -6.7922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3604 -7.6172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3604 -5.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8064 -10.0920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3862 -10.9317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9489 -10.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9317 -8.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2174 -8.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6459 -6.3797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5037 -4.7297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3615 -3.0798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9338 -4.3172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0759 -5.9672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2617 -8.2300 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9761 -7.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2617 -9.0550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9761 -9.4675 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6905 -9.0550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6905 -8.2300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5472 -8.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8327 -8.2300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5472 -9.4674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 -7.8175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 -9.4675 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1195 -9.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8339 -9.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1195 -8.2300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9761 -10.2925 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2617 -10.7050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2617 -11.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5472 -11.9424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5472 -10.2925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6905 -10.7050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6905 -9.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 7 2 1 0 0 0 0 3 2 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 5 8 1 6 0 0 0 9 8 1 1 0 0 0 14 9 1 0 0 0 0 10 9 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 12 15 1 1 0 0 0 16 15 1 1 0 0 0 21 16 1 0 0 0 0 17 16 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 1 0 0 0 23 22 1 1 0 0 0 28 23 1 0 0 0 0 24 23 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 27 28 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 6 33 1 1 0 0 0 4 34 1 1 0 0 0 11 35 1 1 0 0 0 13 36 1 1 0 0 0 19 37 1 1 0 0 0 18 38 1 1 0 0 0 21 29 1 6 0 0 0 28 39 1 6 0 0 0 27 40 1 1 0 0 0 26 41 1 1 0 0 0 25 42 1 1 0 0 0 42 43 1 0 0 0 0 38 44 1 0 0 0 0 35 45 1 0 0 0 0 34 46 1 0 0 0 0 7 47 1 6 0 0 0 14 48 1 6 0 0 0 49 36 1 6 0 0 0 50 49 1 0 0 0 0 49 51 1 0 0 0 0 50 54 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 49 55 1 1 0 0 0 55 56 1 0 0 0 0 55 57 2 0 0 0 0 54 58 1 6 0 0 0 53 59 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 62 2 0 0 0 0 52 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 64 67 1 1 0 0 0 63 68 1 6 0 0 0 52 69 1 1 0 0 0 M END > CHEBI:59208 > beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->4)-[alpha-Neup5Ac-(2->3)]-beta-D-Galp-(1->4)-beta-D-Glcp > A branched amino pentasaccharide consisting of the linear sequence β-D-Gal-(1→3)-β-D-GalNAc-(1→4)-β-D-Gal-(1→4)-β-D-Glc having a Neu5Ac residue attached to the inner galactose via an α-(2→3) linkage. The oligosaccharide of ganglioside GM1a. > 3 > WURCS=2.0/4,5,4/[a2122h-1b_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-4-2/a4-b1_b3-c2_b4-d1_d3-e1; O-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-2-nonulopyranonosyl-(2->3)-O-[O-beta-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl-(1->4)]-O-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose; O-(N-acetyl-alpha-neuraminosyl)-(2-3)-O-(O-beta-D-galactopyranosyl-(1-3)-2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl-(1-4))-O-beta-D-galactopyranosyl-(1-4)-beta-D-glucopyranose; Neu5Acalpha2-3(Galbeta1-3GalNAcbeta1-4)Galbeta1-4Glcbeta; N-acetyl-alpha-neuraminyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucose; GM1a carbohydrate moiety; Galbeta1-3GalNAcbeta1-4(Neu5Acalpha2-3)Galbeta1-4Glcbeta; Galb1-3GalNAcb1-4(Neu5Aca2-3)Galb1-4Glcb; G(M1)-Oligosaccharide; beta-D-glucopyranose, O-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-2-nonulopyranonosyl-(2->3)-O-[O-beta-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl-(1->4)]-O-beta-D-galactopyranosyl-(1->4)-; beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc; alpha-Neup5Ac-(2->3)-[beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->4)]-beta-D-Galp-(1->4)-beta-D-Glcp; alpha-Neu5Ac-(2->3)-[beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)]-beta-D-Gal-(1->4)-beta-D-Glc > 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-beta-non-2-ulopyranonosyl-(2->3)-[beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose > C37H62N2O29 > 998.88420 > 998.34382 > 0 > [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@@H]1[C@@H](O)[C@@H](O[C@H](CO)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1NC(C)=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)O[C@@H]1CO)C(O)=O)[C@H](O)[C@H](O)CO > InChI=1S/C37H62N2O29/c1-9(45)38-17-11(47)3-37(36(58)59,67-30(17)19(49)12(48)4-40)68-31-26(56)35(64-27-15(7-43)60-32(57)24(54)23(27)53)63-16(8-44)28(31)65-33-18(39-10(2)46)29(21(51)14(6-42)61-33)66-34-25(55)22(52)20(50)13(5-41)62-34/h11-35,40-44,47-57H,3-8H2,1-2H3,(H,38,45)(H,39,46)(H,58,59)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20-,21-,22-,23+,24+,25+,26+,27+,28-,29+,30+,31+,32+,33-,34-,35-,37-/m0/s1 > NSWYGIPOSHIRHB-ZMCCZBDLSA-N > 8754288 > 85373-04-2 > 8754288 > 85373-04-2 > 11012028; 12183547; 17855742; 19105626; 19443021; 19695255; 25568069; 31537530; 33164488 $$$$