U6A

N-carboxy-L-threonine

Created:	2020-04-27
Last modified:	2024-09-27

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1 entries where U6A is found as a standalone ligand2 entries where U6A is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	2
Bond Count	19
Aromatic Bond Count	0

2D diagram of U6A

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Chemical Component Summary
Name	N-carboxy-L-threonine
Systematic Name (OpenEye OEToolkits)	(2~{S},3~{R})-2-(carboxyamino)-3-oxidanyl-butanoic acid
Formula	C₅ H₉ N O₅
Molecular Weight	163.129
Type	L-PEPTIDE NH3 AMINO TERMINUS

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(NC(C(C)O)C(=O)O)(O)=O
SMILES	CACTVS	3.385	C[CH](O)[CH](NC(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	CC(C(C(=O)O)NC(=O)O)O
Canonical SMILES	CACTVS	3.385	C[C@@H](O)[C@H](NC(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@H]([C@@H](C(=O)O)NC(=O)O)O
InChI	InChI	1.03	InChI=1S/C5H9NO5/c1-2(7)3(4(8)9)6-5(10)11/h2-3,6-7H,1H3,(H,8,9)(H,10,11)/t2-,3+/m1/s1
InChIKey	InChI	1.03	OJLPTWSLDBSLEH-GBXIJSLDSA-N

Related Resource References

Resource Name	Reference
PubChem	132280896

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