GIF

D-galacto-isofagomine

Created:	2014-03-18
Last modified:	2014-08-20

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4 entries where GIF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	3
Bond Count	23
Aromatic Bond Count	0

2D diagram of GIF

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Chemical Component Summary
Name	D-galacto-isofagomine
Systematic Name (OpenEye OEToolkits)	(3R,4S,5R)-5-(hydroxymethyl)piperidine-3,4-diol
Formula	C₆ H₁₃ N O₃
Molecular Weight	147.172
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC1C(CO)CNCC1O
SMILES	CACTVS	3.385	OC[CH]1CNC[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.7.6	C1C(C(C(CN1)O)O)CO
Canonical SMILES	CACTVS	3.385	OC[C@H]1CNC[C@@H](O)[C@H]1O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C1[C@@H]([C@@H]([C@@H](CN1)O)O)CO
InChI	InChI	1.03	InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6+/m1/s1
InChIKey	InChI	1.03	QPYJXFZUIJOGNX-PBXRRBTRSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL1818433
PubChem	10240946
ChEMBL	CHEMBL1818433

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.