FGS

5-(ACETYLAMINO)-5-DEOXY-1-O-PHOSPHONO-L-IDITOL

Created:	2009-09-25
Last modified:	2011-06-04

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1 entries where FGS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	4
Bond Count	36
Aromatic Bond Count	0

2D diagram of FGS

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Chemical Component Summary
Name	5-(ACETYLAMINO)-5-DEOXY-1-O-PHOSPHONO-L-IDITOL
Systematic Name (OpenEye OEToolkits)	[(2S,3S,4R,5S)-5-acetamido-2,3,4,6-tetrahydroxy-hexyl] dihydrogen phosphate
Formula	C₈ H₁₈ N O₉ P
Molecular Weight	303.204
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OCC(O)C(O)C(O)C(NC(=O)C)CO
SMILES	CACTVS	3.352	CC(=O)N[CH](CO)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.6.1	CC(=O)NC(CO)C(C(C(COP(=O)(O)O)O)O)O
Canonical SMILES	CACTVS	3.352	CC(=O)N[C@@H](CO)[C@@H](O)[C@H](O)[C@@H](O)CO[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.6.1	CC(=O)N[C@@H](CO)[C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O
InChI	InChI	1.03	InChI=1S/C8H18NO9P/c1-4(11)9-5(2-10)7(13)8(14)6(12)3-18-19(15,16)17/h5-8,10,12-14H,2-3H2,1H3,(H,9,11)(H2,15,16,17)/t5-,6-,7+,8+/m0/s1
InChIKey	InChI	1.03	WHHOIWRDVIBHSP-RULNZFCNSA-N

Related Resource References

Resource Name	Reference
PubChem	44223986

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.