Marvin 11150512082D 32 33 0 0 1 0 999 V2000 11.3762 -3.7872 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3762 -4.6122 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6617 -3.3747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6617 -5.0247 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9472 -3.7872 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9472 -4.6122 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6617 -5.8497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2327 -5.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2327 -3.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5182 -3.7872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9472 -6.2622 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.9472 -7.0872 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2327 -5.8497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2327 -7.4997 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5182 -6.2622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5182 -7.0872 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6617 -7.4997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2327 -8.3247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8038 -7.4997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8038 -5.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0893 -6.2622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0906 -5.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3762 -6.2622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0906 -5.0247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8051 -6.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0906 -3.3747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2340 -2.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5195 -3.3747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2340 -2.1372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5195 -4.1997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8051 -2.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9485 -3.3747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 6 1 0 0 0 0 1 26 1 1 0 0 0 4 7 1 1 0 0 0 6 8 1 1 0 0 0 5 9 1 1 0 0 0 10 9 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 16 1 0 0 0 0 11 7 1 0 0 0 0 12 17 1 6 0 0 0 14 18 1 1 0 0 0 16 19 1 1 0 0 0 15 20 1 1 0 0 0 21 20 1 0 0 0 0 23 22 2 0 0 0 0 24 22 1 0 0 0 0 25 22 1 0 0 0 0 2 24 1 6 0 0 0 31 26 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 32 27 1 0 0 0 0 28 30 1 1 0 0 0 28 31 1 0 0 0 0 M END > CHEBI:16981 > O-(3-O-D-galactosyl-N-acetyl-beta-D-galactosaminyl)-L-serine > A derivative of L-serine having a 3-O-D-galactosyl-N-acetyl-β-D-galactosaminyl moiety attached to the side-chain oxygen. > 3 > CHEBI:4146; CHEBI:12944; CHEBI:20967 > T antigen; D-Galactosyl-3-(N-acetyl-beta-D-galactosaminyl)-L-serine; (2S)-3-(2-acetamido-2-deoxy-3-O-D-galactopyranosyl-beta-D-galactopyranosyloxy)-2-aminopropanoic acid > (2S)-3-[D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyloxy]-2-aminopropanoic acid > C17H30N2O13 > 470.42578 > 470.17479 > 0 > CC(=O)N[C@H]1[C@H](OC[C@H](N)C(O)=O)O[C@H](CO)[C@H](O)[C@@H]1OC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O > InChI=1S/C17H30N2O13/c1-5(22)19-9-14(32-17-13(26)12(25)10(23)7(2-20)31-17)11(24)8(3-21)30-16(9)29-4-6(18)15(27)28/h6-14,16-17,20-21,23-26H,2-4,18H2,1H3,(H,19,22)(H,27,28)/t6-,7+,8+,9+,10-,11-,12-,13+,14+,16+,17?/m0/s1 > XDMCWZFLLGVIID-SXPRBRBTSA-N > C04776 > G00024 $$$$