GTL

(2E,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-2-PIPERIDINONE

Created:	2004-02-11
Last modified:	2021-03-13

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2 entries where GTL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	4
Bond Count	25
Aromatic Bond Count	0

2D diagram of GTL

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Chemical Component Summary
Name	(2E,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-2-PIPERIDINONE
Synonyms	D-GALACTOHYDROXIMO-1,5-LACTAM
Systematic Name (OpenEye OEToolkits)	(3S,4S,5S,6R)-2-hydroxyimino-6-(hydroxymethyl)piperidine-3,4,5-triol
Formula	C₆ H₁₂ N₂ O₅
Molecular Weight	192.17
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OC1C(O)C(O)C(=N\O)\NC1CO
SMILES	CACTVS	3.341	OC[CH]1NC(=NO)[CH](O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.5.0	C(C1C(C(C(C(=NO)N1)O)O)O)O
Canonical SMILES	CACTVS	3.341	OC[C@H]1NC(=N\O)/[C@H](O)[C@@H](O)[C@H]1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C([C@@H]1[C@@H]([C@@H]([C@H](C(=NO)N1)O)O)O)O
InChI	InChI	1.03	InChI=1S/C6H12N2O5/c9-1-2-3(10)4(11)5(12)6(7-2)8-13/h2-5,9-13H,1H2,(H,7,8)/t2-,3+,4+,5-/m1/s1
InChIKey	InChI	1.03	VBXHGXTYZGYTQG-MGCNEYSASA-N

Drug Info: DrugBank

DrugBank ID	DB02525
Name	D-galactohydroximo-1,5-lactam
Groups	experimental
Synonyms	D-galactohydroximo-1,5-lactam

Related Resource References

Resource Name	Reference
PubChem	448963

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.