2TL

D-allothreonine

Created:	2008-06-03
Last modified:	2024-09-27

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1 entries where 2TL is covalently linked to polymer or other heterogen groups 17 entries where 2TL 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

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Chemical Component Summary
Name	D-allothreonine
Systematic Name (OpenEye OEToolkits)	(2R,3R)-2-amino-3-hydroxy-butanoic acid
Formula	C₄ H₉ N O₃
Molecular Weight	119.119
Type	D-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-/m1/s1
InChIKey	InChI	1.03	AYFVYJQAPQTCCC-PWNYCUMCSA-N

Drug Info: DrugBank

DrugBank ID	DB03700
Name	D-Threonine
Groups	experimental
Synonyms	D-Threonine
CAS number	632-20-2

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Thermolysin	MKRKMKMKLVRFGLAAGLAAQVFFLPYNALASTEHVTWNQQFQTPQFISG...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682