15A

(2Z,3R,4S,5R,6R)-2-[(2-aminoethyl)imino]-6-(hydroxymethyl)piperidine-3,4,5-triol

Created:	2008-03-18
Last modified:	2011-06-04

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1 entries where 15A is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	4
Bond Count	32
Aromatic Bond Count	0

2D diagram of 15A

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Chemical Component Summary
Name	(2Z,3R,4S,5R,6R)-2-[(2-aminoethyl)imino]-6-(hydroxymethyl)piperidine-3,4,5-triol
Systematic Name (OpenEye OEToolkits)	(2Z,3R,4S,5R,6R)-2-(2-aminoethylimino)-6-(hydroxymethyl)piperidine-3,4,5-triol
Formula	C₈ H₁₇ N₃ O₄
Molecular Weight	219.238
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OC1C(O)C(O)C(=N/CCN)/NC1CO
SMILES	CACTVS	3.341	NCCN=C1N[CH](CO)[CH](O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.5.0	C(CN=C1C(C(C(C(N1)CO)O)O)O)N
Canonical SMILES	CACTVS	3.341	NCCN=C1N[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(C/N=C\1/[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O)N
InChI	InChI	1.03	InChI=1S/C8H17N3O4/c9-1-2-10-8-7(15)6(14)5(13)4(3-12)11-8/h4-7,12-15H,1-3,9H2,(H,10,11)/t4-,5-,6+,7+/m1/s1
InChIKey	InChI	1.03	ZLIQDFHJGBHZAQ-JWXFUTCRSA-N

Related Resource References

Resource Name	Reference
PubChem	135440292, 10036366
ChEMBL	CHEMBL1213402

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.