BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Pantothenate (C9 H17 N O5)

bmst000280 Theoretical Data

Entry STAR file: bmst000280.str
Generated Data for: Pantothenate
BMRB Entry DOI: doi:10.13018/BMST000280
PDB file: bmst000280

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Natural Isotopic formula weight: 219.2349800000

Theoretically calculated chemical shifts

Shift IDAtom IDValue
1N6115.405
2C739.760
3C875.926
4C969.313
5C1036.797
6C1132.163
7C1218.342
8C1314.887
9C14171.110
10C15176.377
11H163.690
12H170.233
13H186.485
14H195.462
15H204.212
16H214.335
17H225.149
18H234.290
19H244.740
20H253.050
21H264.265
22H272.210
23H281.408
24H293.233
25H301.511
26H312.692
27H321.007