Ketcher 03221816512D 1 1.00000 0.00000 0 62 63 0 1 0 999 V2000 11.0960 -6.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9620 -5.6893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0960 -7.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8280 -6.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9620 -7.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2298 -7.6894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8280 -7.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9620 -8.6893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6940 -7.6894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2298 -5.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3638 -6.1893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6940 -5.6893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5603 -6.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4263 -5.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2923 -6.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4263 -4.6894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1583 -5.6894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2923 -4.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0244 -6.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0244 -7.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8904 -5.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2923 -3.1892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1583 -4.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6317 -6.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4977 -5.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4977 -4.6893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6317 -4.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7656 -5.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7656 -4.6891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6315 -7.1892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6317 -3.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8997 -6.1892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8997 -4.1891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4978 -2.6892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0243 -4.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8903 -4.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7563 -4.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6223 -4.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4884 -4.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7564 -6.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6224 -5.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4884 -6.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3544 -5.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2204 -6.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2204 -7.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3544 -7.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4884 -7.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4883 -3.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6223 -2.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7563 -3.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2204 -3.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2204 -4.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3543 -2.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3543 -4.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9525 -6.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9525 -7.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0864 -5.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0864 -7.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8903 -2.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0243 -3.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6224 -7.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7564 -7.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 10 1 1 0 0 1 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 12 1 1 0 0 5 8 1 1 0 0 5 7 1 0 0 0 7 9 1 6 0 0 10 11 1 0 0 0 12 13 1 0 0 0 14 13 1 0 0 0 14 15 1 0 0 0 14 16 1 6 0 0 15 17 1 0 0 0 16 18 1 0 0 0 17 19 1 0 0 0 18 23 1 0 0 0 18 22 2 0 0 0 19 20 2 0 0 0 19 21 1 0 0 0 24 30 1 6 0 0 25 24 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 31 1 1 0 0 24 28 1 0 0 0 28 32 1 1 0 0 28 29 1 0 0 0 27 29 1 0 0 0 29 33 1 6 0 0 31 34 1 0 0 0 25 11 1 1 0 0 35 23 1 0 0 0 36 35 1 0 0 0 37 36 1 0 0 0 38 37 1 0 0 0 39 38 1 0 0 0 40 21 1 0 0 0 41 40 1 0 0 0 42 41 1 0 0 0 43 42 1 0 0 0 44 43 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 52 51 1 0 0 0 53 51 1 0 0 0 54 52 1 0 0 0 48 53 1 0 0 0 39 54 1 0 0 0 56 55 1 0 0 0 57 55 1 0 0 0 58 56 1 0 0 0 44 57 1 0 0 0 45 58 1 0 0 0 50 59 1 0 0 0 59 60 1 0 0 0 47 61 1 0 0 0 61 62 1 0 0 0 M END > CHEBI:140460 > 3-[beta-D-glucopyranosyl-(1->6)-beta-D-galactopyranosyl]-1,2-dipalmitoyl-sn-glycerol > A 3-[β-D-glucopyranosyl-(1→6)-β-D-galactopyranosyl]-1,2-diacyl-sn-glycerol in which the acyl groups at O-1 and O-2 are both palmitoyl. A synthetic acyl homologue of the β-glycolipid antigens (β-GGLs) of Mycoplasma pneumoniae. > 3 > betaGGL-C16; 3-O-[beta-D-glucopyranosyl-(1->6)-beta-D-galactopyranosyl]-1,2-di-O-palmitoyl-sn-glycerol; 3-O-[beta-D-glucopyranosyl-(1->6)-beta-D-galactopyranosyl]-1,2-di-O-hexadecanoyl-sn-glycerol; 3-O-[beta-D-glucopyranosyl-(1"->6')-beta-D-galactopyranosyl]-1,2-di-O-palmitoyl-sn-glycerol; 3-O-[beta-D-Glcp-(1->6)-beta-D-Galp]-1,2-di-O-palmitoyl-sn-glycerol; 3-O-[beta-D-Glc-(1->6)-beta-D-Gal]-1,2-di-O-palmitoyl-sn-glycerol; 3-[beta-D-glucosyl-(1->6)-beta-D-galactosyl]-1,2-dipalmitoyl-sn-glycerol; 3-[beta-D-Glcp-(1->6)-beta-D-Galp]-1,2-dipalmitoyl-sn-glycerol; 3-[beta-D-Glc-(1->6)-beta-D-Gal]-1,2-dipalmitoyl-sn-glycerol > (2S)-3-[(6-O-beta-D-glucopyranosyl-beta-D-galactopyranosyl)oxy]propane-1,2-diyl dihexadecanoate > C47H88O15 > 893.194 > 892.61232 > 0 > [C@@H]1(O[C@H]([C@@H]([C@H]([C@H]1O)O)O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(CCCCCCCCCCCCCCC)=O)CO[C@H]2[C@H](O)[C@@H](O)[C@@H]([C@H](O2)CO)O > InChI=1S/C47H88O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-38(49)57-32-35(60-39(50)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)33-58-46-45(56)43(54)41(52)37(62-46)34-59-47-44(55)42(53)40(51)36(31-48)61-47/h35-37,40-48,51-56H,3-34H2,1-2H3/t35-,36-,37-,40-,41+,42+,43+,44-,45-,46-,47-/m1/s1 > TUUXXJDESDKYDH-GFBMXRCWSA-N > 21142982 > 29373272 $$$$