6BR

threoninevanadate

Created:	2016-03-03
Last modified:	2024-09-27

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1 entries where 6BR is found in a polymer sequence

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Chemical Details
Formal Charge	-3
Atom Count	21
Chiral Atom Count	2
Bond Count	20
Aromatic Bond Count	0

2D diagram of 6BR

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Chemical Component Summary
Name	threoninevanadate
Systematic Name (OpenEye OEToolkits)	[(2~{R},3~{S})-3-azanyl-4-oxidanyl-4-oxidanylidene-butan-2-yl]oxy-tris(oxidanidyl)-oxidanylidene-vanadium
Formula	C₄ H₈ N O₇ V
Molecular Weight	233.05
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	NC(C(O[V]([O-])(=O)([O-])[O-])C)C(O)=O
SMILES	CACTVS	3.385	C[CH](O[V]([O-])([O-])([O-])=O)[CH](N)C(O)=O
SMILES	OpenEye OEToolkits	2.0.4	CC(C(C(=O)O)N)O[V](=O)([O-])([O-])[O-]
Canonical SMILES	CACTVS	3.385	C[C@@H](O[V]([O-])([O-])([O-])=O)[C@H](N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.4	C[C@H]([C@@H](C(=O)O)N)O[V](=O)([O-])([O-])[O-]
InChI	InChI	1.03	InChI=1S/C4H8NO3.4O.V/c1-2(6)3(5)4(7)8;;;;;/h2-3H,5H2,1H3,(H,7,8);;;;;/q-1;;3*-1;+1/t2-,3+;;;;;/m1...../s1
InChIKey	InChI	1.03	SQLQLYFUDRNKTK-YEICSIFDSA-N

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