THE

THREONATE ION

Created:	1999-07-08
Last modified:	2011-06-04

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2 entries where THE is found as a standalone ligand

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Chemical Details
Formal Charge	-1
Atom Count	16
Chiral Atom Count	2
Bond Count	15
Aromatic Bond Count	0

2D diagram of THE

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Chemical Component Summary
Name	THREONATE ION
Systematic Name (OpenEye OEToolkits)	(2S,3R)-2,3,4-trihydroxybutanoate
Formula	C₄ H₇ O₅
Molecular Weight	135.095
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	[O-]C(=O)C(O)C(O)CO
SMILES	CACTVS	3.341	OC[CH](O)[CH](O)C([O-])=O
SMILES	OpenEye OEToolkits	1.5.0	C(C(C(C(=O)[O-])O)O)O
Canonical SMILES	CACTVS	3.341	OC[C@@H](O)[C@H](O)C([O-])=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C([C@H]([C@@H](C(=O)[O-])O)O)O
InChI	InChI	1.03	InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/p-1/t2-,3+/m1/s1
InChIKey	InChI	1.03	JPIJQSOTBSSVTP-GBXIJSLDSA-M

Related Resource References

Resource Name	Reference
PubChem	5289463
ChEBI	CHEBI:45912

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