14ZUP_5XA_A_405 2 RCSB PDB12061716423D 3Coordinates from PDB:4ZUP:A:405 Model:1 without hydrogens 4 9 8 0 0 0 0 999 V2000 5 0.8130 23.5570 31.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 6 1.4700 24.2680 30.0280 N 0 0 0 0 0 0 0 0 0 0 0 0 7 2.6970 24.5940 30.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 8 3.1750 24.2610 31.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 9 3.4510 25.3190 29.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 10 3.1640 26.8000 29.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 11 3.8350 27.3010 27.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 12 3.8850 28.8110 27.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 13 4.8090 29.1950 26.8220 N 0 0 0 0 0 0 0 0 0 0 0 0 14 9 8 1 0 0 0 0 15 8 7 1 0 0 0 0 16 7 6 1 0 0 0 0 17 6 5 1 0 0 0 0 18 5 3 1 0 0 0 0 19 2 3 1 0 0 0 0 20 2 1 1 0 0 0 0 21 3 4 2 0 0 0 0 22A 1 23O8 24A 2 25N7 26A 3 27C6 28A 4 29O9 30A 5 31C5 32A 6 33C4 34A 7 35C3 36A 8 37C2 38A 9 39N1 40M END 41> <InstanceId> 424ZUP_5XA_A_405 43 44> <ChemCompId> 455XA 46 47> <PdbId> 484ZUP 49 50> <ChainId> 51A 52 53> <ResidueNumber> 54405 55 56> <InsertionCode> 57 58 59> <Model> 601 61 62> <AltIds> 63 64 65> <MissingHeavyAtoms> 660 67 68> <ObservedFormula> 69C5 N2 O2 70 71> <Name> 725-amino-N-hydroxypentanamide 73 74> <SystematicName> 755-azanyl-N-oxidanyl-pentanamide 76 77> <Synonyms> 78 79 80> <Type> 81NON-POLYMER 82 83> <Formula> 84C5 H12 N2 O2 85 86> <MolecularWeight> 87132.161 88 89> <ModifiedDate> 902015-07-24 91 92> <Parent> 93 94 95> <OneLetterCode> 96 97 98> <SubcomponentList> 99 100 101> <AmbiguousFlag> 102N 103 104> <InChI> 105InChI=1S/C5H12N2O2/c6-4-2-1-3-5(8)7-9/h9H,1-4,6H2,(H,7,8) 106 107> <InChIKey> 108YEOWNCJWBHIJNK-UHFFFAOYSA-N 109 110> <SMILES> 111C(CCN)CC(=O)NO 112 113$$$$ 114