11ZL2_ANU_B_7016 2 RCSB PDB12061704533D 3Coordinates from PDB:1ZL2:B:7016 Model:1 without hydrogens 4 16 18 0 0 0 0 999 V2000 5 8.0310 -0.9310 93.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 6 9.2080 -1.0100 92.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 7 9.7110 0.3980 92.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 8 10.5010 0.3270 90.8960 O 0 0 0 0 0 0 0 0 0 0 0 0 9 11.7540 0.7870 91.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 10 12.8350 0.9970 90.3000 N 0 0 0 0 0 0 0 0 0 0 0 0 11 14.0860 1.3820 90.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 12 15.0350 1.5100 90.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 13 14.2690 1.5730 92.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 14 13.1970 1.3730 93.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 15 11.9440 0.9820 92.5410 N 0 0 0 0 0 0 0 0 0 0 0 0 16 10.6560 0.7440 93.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 17 10.7260 -0.4170 94.0760 O 0 0 0 0 0 0 0 0 0 0 0 0 18 10.3420 -1.5580 93.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 19 11.5180 -2.0420 92.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 20 12.5670 -2.4990 93.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 21 8 7 2 0 0 0 0 22 6 7 1 0 0 0 0 23 6 5 2 0 0 0 0 24 7 9 1 0 0 0 0 25 4 5 1 0 0 0 0 26 4 3 1 0 0 0 0 27 5 11 1 0 0 0 0 28 3 2 1 0 0 0 0 29 3 12 1 0 0 0 0 30 9 10 2 0 0 0 0 31 2 1 1 0 0 0 0 32 2 14 1 0 0 0 0 33 15 14 1 0 0 0 0 34 15 16 1 0 0 0 0 35 11 10 1 0 0 0 0 36 11 12 1 0 0 0 0 37 12 13 1 0 0 0 0 38 14 13 1 0 0 0 0 39A 1 40O3' 41A 2 42C3' 43A 3 44C2' 45A 4 46O2 47A 5 48C2 49A 6 50N3 51A 7 52C4 53A 8 54O4 55A 9 56C5 57A 10 58C6 59A 11 60N1 61A 12 62C1' 63A 13 64O4' 65A 14 66C4' 67A 15 68C5' 69A 16 70O5' 71M END 72> <InstanceId> 731ZL2_ANU_B_7016 74 75> <ChemCompId> 76ANU 77 78> <PdbId> 791ZL2 80 81> <ChainId> 82B 83 84> <ResidueNumber> 857016 86 87> <InsertionCode> 88 89 90> <Model> 911 92 93> <AltIds> 94 95 96> <MissingHeavyAtoms> 970 98 99> <ObservedFormula> 100C9 N2 O5 101 102> <Name> 1032,2'-Anhydro-(1-beta-D-arabinofuranosyl)uracil 104 105> <SystematicName> 106(2~{R},4~{R},5~{R},6~{S})-4-(hydroxymethyl)-5-oxidanyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.0^{2,6}]dodeca-8,11-dien-10-one 107 108> <Synonyms> 109Anhydrouridine; 2,2'-ANHYDROURIDINE; CYCLOURIDINE 110 111> <Type> 112NON-POLYMER 113 114> <Formula> 115C9 H10 N2 O5 116 117> <MolecularWeight> 118226.186 119 120> <ModifiedDate> 1212017-10-09 122 123> <Parent> 124 125 126> <OneLetterCode> 127 128 129> <SubcomponentList> 130 131 132> <AmbiguousFlag> 133N 134 135> <InChI> 136InChI=1S/C9H10N2O5/c12-3-4-6(14)7-8(15-4)11-2-1-5(13)10-9(11)16-7/h1-2,4,6-8,12,14H,3H2/t4-,6-,7+,8-/m1/s1 137 138> <InChIKey> 139UUGITDASWNOAGG-CCXZUQQUSA-N 140 141> <SMILES> 142C1=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=O 143 144$$$$ 145