Marvin 03221212082D 62 65 0 0 1 0 999 V2000 39.8710 -107.6902 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 40.6556 -107.4352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 39.2035 -107.2055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.6161 -108.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 41.2688 -107.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.8272 -106.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.5361 -107.6904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 38.7911 -108.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 40.1012 -109.1424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 42.0534 -107.7322 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 41.0974 -108.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 41.6118 -106.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.3063 -109.1425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 42.2249 -106.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.7515 -107.4355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 37.1385 -107.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 43.0094 -106.6701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.5799 -106.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.5406 -106.7213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.7412 -108.4645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 36.8655 -106.2160 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 36.8655 -105.3910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 36.1510 -104.9785 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 36.1510 -106.6285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.4365 -105.3910 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 35.4365 -106.2160 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 34.7220 -106.6285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.7220 -104.9785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 36.1509 -104.1535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.5799 -104.9785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.0076 -106.2160 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 33.2930 -106.6285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 34.0075 -105.3910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.5786 -106.2158 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 33.2931 -104.9785 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 32.5786 -105.3910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 34.7220 -104.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.4365 -103.7410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.2931 -104.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8641 -104.9783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.8641 -106.6283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.2930 -107.4535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 34.0074 -107.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0074 -108.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.7220 -107.4536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.5786 -103.7410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.0076 -103.7410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0076 -102.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.2931 -102.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5786 -102.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8641 -102.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1497 -102.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4352 -102.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7207 -102.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0063 -102.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2917 -102.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5773 -102.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8627 -102.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1483 -102.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4339 -102.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7194 -102.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4338 -103.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 6 0 0 0 5 10 1 0 0 0 0 5 11 2 0 0 0 0 6 12 2 0 0 0 0 7 15 1 0 0 0 0 8 13 1 6 0 0 0 10 14 1 0 0 0 0 14 17 2 0 0 0 0 7 8 1 0 0 0 0 12 14 1 0 0 0 0 15 16 1 6 0 0 0 15 18 1 0 0 0 0 7 19 1 6 0 0 0 15 20 1 1 0 0 0 21 22 1 0 0 0 0 23 22 1 0 0 0 0 24 21 1 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 26 25 1 0 0 0 0 26 27 1 1 0 0 0 25 28 1 6 0 0 0 23 29 1 1 0 0 0 22 30 1 1 0 0 0 21 18 1 1 0 0 0 32 31 1 0 0 0 0 33 31 1 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 36 35 1 0 0 0 0 31 27 1 6 0 0 0 28 37 1 0 0 0 0 37 38 2 0 0 0 0 35 39 1 1 0 0 0 36 40 1 6 0 0 0 34 41 1 1 0 0 0 32 42 1 6 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 43 45 2 0 0 0 0 39 46 1 0 0 0 0 37 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 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 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 62 1 0 0 0 0 M END > CHEBI:64272 > tunicamycin D2 > A nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by a 15-methylhexadec-2-enoyl fatty acyl substituent on the amino group of the tunicamine moiety. > 3 > (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(15-methylhexadec-2-enamido)-beta-D-galactopyranos-6-yl]uridine; (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]-15-methylhexadec-2-enamide > C40H66N4O16 > 858.96920 > 858.44738 > 0 > [H][C@@](O)(C[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC(=O)\C=C\CCCCCCCCCCCC(C)C)[C@@H](O)[C@H]1O)[C@@]1([H])O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O > InChI=1S/C40H66N4O16/c1-21(2)15-13-11-9-7-5-4-6-8-10-12-14-16-26(48)42-29-33(53)30(50)24(57-39(29)60-38-28(41-22(3)46)32(52)31(51)25(20-45)58-38)19-23(47)36-34(54)35(55)37(59-36)44-18-17-27(49)43-40(44)56/h14,16-18,21,23-25,28-39,45,47,50-55H,4-13,15,19-20H2,1-3H3,(H,41,46)(H,42,48)(H,43,49,56)/b16-14+/t23-,24-,25-,28-,29-,30+,31-,32-,33-,34+,35-,36-,37-,38-,39+/m1/s1 > XCEPHNBEHQJSSB-LGJGITPNSA-N > 7061468 $$$$