Marvin 07271110342D 63 66 0 0 1 0 999 V2000 5.3587 -8.0076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3587 -8.8327 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9317 -4.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5027 -4.2957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9317 -5.1206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6461 -5.5331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2171 -5.5332 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2173 -3.8831 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5027 -5.1207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0732 -7.5953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7877 -8.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7877 -8.8328 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0731 -9.2452 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7883 -5.5329 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2173 -6.3579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7878 -6.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0739 -5.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3588 -7.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0732 -6.7701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6442 -7.5951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3589 -6.3576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2173 -3.0581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7883 -3.8830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5028 -3.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5028 -2.6455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7895 -4.6958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6442 -9.2451 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5021 -9.2454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0731 -10.0702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6442 -8.4201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9298 -10.4825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6442 -10.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9298 -8.8326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3611 -1.8210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6467 -1.4083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3609 -2.6460 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6463 -3.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9319 -2.6458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9321 -1.8207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0754 -2.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0754 -3.0587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0756 -1.4086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7898 -2.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6469 -0.5834 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2178 -1.4081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3612 -0.9959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9327 0.6541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9325 -0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3614 -0.1710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2189 -4.2962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2189 -5.1212 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5043 -3.8837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5043 -5.5337 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7899 -4.2962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7899 -5.1212 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9333 -3.8837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9333 -5.5337 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5043 -6.3587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0754 -5.5337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0754 -3.8837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9333 -6.3587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6478 -6.7712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2189 -6.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 27 2 1 0 0 0 0 2 30 1 6 0 0 0 5 3 1 0 0 0 0 5 6 1 1 0 0 0 7 5 1 0 0 0 0 7 15 1 1 0 0 0 8 4 1 0 0 0 0 8 3 1 0 0 0 0 8 22 1 6 0 0 0 8 24 1 0 0 0 0 9 7 1 0 0 0 0 9 4 1 0 0 0 0 9 14 1 0 0 0 0 9 26 1 6 0 0 0 10 1 1 0 0 0 0 10 18 1 0 0 0 0 10 11 1 0 0 0 0 12 11 1 0 0 0 0 12 28 1 1 0 0 0 13 12 1 0 0 0 0 2 13 1 0 0 0 0 13 29 1 1 0 0 0 14 16 1 0 0 0 0 14 17 1 1 0 0 0 16 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 24 23 1 0 0 0 0 24 25 2 0 0 0 0 27 33 1 1 0 0 0 27 32 1 0 0 0 0 32 31 1 0 0 0 0 10 19 1 6 0 0 0 35 34 1 0 0 0 0 44 35 1 0 0 0 0 35 46 1 6 0 0 0 36 34 1 0 0 0 0 36 40 1 0 0 0 0 36 37 1 0 0 0 0 38 37 1 0 0 0 0 38 22 1 1 0 0 0 39 38 1 0 0 0 0 35 39 1 0 0 0 0 39 45 1 1 0 0 0 40 42 1 0 0 0 0 40 43 2 0 0 0 0 44 49 1 1 0 0 0 44 48 1 0 0 0 0 48 47 1 0 0 0 0 36 41 1 6 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 51 53 1 0 0 0 0 52 54 1 0 0 0 0 53 55 1 0 0 0 0 54 55 1 0 0 0 0 50 56 1 1 0 0 0 51 57 1 6 0 0 0 53 58 1 1 0 0 0 55 59 1 6 0 0 0 54 60 1 1 0 0 0 62 61 2 0 0 0 0 63 61 1 0 0 0 0 57 61 1 0 0 0 0 60 41 1 0 0 0 0 M END > CHEBI:62640 > alpha-D-Kdo-(2->8)-alpha-D-Kdo-(2->4)-alpha-D-Kdo-(2->6)-beta-D-GlcNAc > A tetrasaccharide composed of three α-D-Kdo residues and one acetylated β-glucosamine residue (at the reducing end). It is a partial structure of chlamydial lipopolysaccharide (LPS). > 3 > alpha-Kdo-(2->8)-alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-beta-GlcNAc > 3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl-(2->8)-3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl-(2->4)-3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl-(2->6)-2-acetamido-2-deoxy-beta-D-glucopyranose > C32H51NO27 > 881.73780 > 881.26485 > 0 > [H][C@@]1(O[C@@](C[C@@H](O)[C@H]1O)(OC[C@@H](O)[C@@]1([H])O[C@@](C[C@@H](O)[C@H]1O)(O[C@@H]1C[C@@](OC[C@H]2O[C@@H](O)[C@H](NC(C)=O)[C@@H](O)[C@@H]2O)(O[C@]([H])([C@H](O)CO)[C@@H]1O)C(O)=O)C(O)=O)C(O)=O)[C@H](O)CO > InChI=1S/C32H51NO27/c1-9(36)33-17-22(46)20(44)16(56-26(17)47)8-55-31(28(50)51)4-15(21(45)24(59-31)13(40)6-35)57-32(29(52)53)3-11(38)19(43)25(60-32)14(41)7-54-30(27(48)49)2-10(37)18(42)23(58-30)12(39)5-34/h10-26,34-35,37-47H,2-8H2,1H3,(H,33,36)(H,48,49)(H,50,51)(H,52,53)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,30-,31-,32-/m1/s1 > ZXBBLGDMKRUAFL-HAACUUTCSA-N > 1372290; 21405106 $$$$