VN0

(2~{R},3~{S},4~{R},5~{R})-2-(hydroxymethyl)-5-(methylaminomethyl)pyrrolidine-3,4-diol

Created:	2023-07-31
Last modified:	2024-04-10

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1 entries where VN0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	4
Bond Count	28
Aromatic Bond Count	0

2D diagram of VN0

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Chemical Component Summary
Name	(2~{R},3~{S},4~{R},5~{R})-2-(hydroxymethyl)-5-(methylaminomethyl)pyrrolidine-3,4-diol
Systematic Name (OpenEye OEToolkits)	(2~{R},3~{S},4~{R},5~{R})-2-(hydroxymethyl)-5-(methylaminomethyl)pyrrolidine-3,4-diol
Formula	C₇ H₁₆ N₂ O₃
Molecular Weight	176.214
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CNC[CH]1N[CH](CO)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	2.0.7	CNCC1C(C(C(N1)CO)O)O
Canonical SMILES	CACTVS	3.385	CNC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CNC[C@@H]1[C@H]([C@H]([C@H](N1)CO)O)O
InChI	InChI	1.06	InChI=1S/C7H16N2O3/c1-8-2-4-6(11)7(12)5(3-10)9-4/h4-12H,2-3H2,1H3/t4-,5-,6-,7+/m1/s1
InChIKey	InChI	1.06	LPOCSFFEUYJDFL-GBNDHIKLSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.