ALO

ALLO-THREONINE

Created:	1999-07-08
Last modified:	2024-09-27

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1 entries where ALO is found as a standalone ligand3 entries where ALO is covalently linked to polymer or other heterogen groups 17 entries where ALO is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	2
Bond Count	16
Aromatic Bond Count	0

2D diagram of ALO

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Chemical Component Summary
Name	ALLO-THREONINE
Systematic Name (OpenEye OEToolkits)	(2S,3S)-2-amino-3-hydroxy-butanoic acid
Formula	C₄ H₉ N O₃
Molecular Weight	119.119
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)C(O)C
SMILES	CACTVS	3.341	C[CH](O)[CH](N)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(C(C(=O)O)N)O
Canonical SMILES	CACTVS	3.341	C[C@H](O)[C@H](N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@@H]([C@@H](C(=O)O)N)O
InChI	InChI	1.03	InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m0/s1
InChIKey	InChI	1.03	AYFVYJQAPQTCCC-HRFVKAFMSA-N

Related Resource References

Resource Name	Reference
PubChem	99289, 6995276
ChEMBL	CHEMBL59238
ChEBI	CHEBI:58585, CHEBI:28718

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