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