FSI

5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid

Created:	2004-01-19
Last modified:	2024-09-27

Find Related PDB Entry
9 entries where FSI is covalently linked to polymer or other heterogen groups

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	7
Bond Count	40
Aromatic Bond Count	0

2D diagram of FSI

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid
Synonyms	5-(acetylamino)-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid; 3-FLUOROSIALIC ACID; 5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulosonic acid; 5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-L-manno-non-2-ulosonic acid; 5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-manno-non-2-ulosonic acid
Systematic Name (OpenEye OEToolkits)	(2R,3R,4R,5R,6R)-5-acetamido-3-fluoranyl-2,4-bis(oxidanyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
Formula	C₁₁ H₁₈ F N O₉
Molecular Weight	327.26
Type	D-SACCHARIDE, BETA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C1(O)OC(C(NC(=O)C)C(O)C1F)C(O)C(O)CO
SMILES	CACTVS	3.370	CC(=O)N[CH]1[CH](O)[CH](F)[C](O)(O[CH]1[CH](O)[CH](O)CO)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	CC(=O)NC1C(C(C(OC1C(C(CO)O)O)(C(=O)O)O)F)O
Canonical SMILES	CACTVS	3.370	CC(=O)N[C@@H]1[C@@H](O)[C@@H](F)[C@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CC(=O)N[C@@H]1[C@H]([C@H]([C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)F)O
InChI	InChI	1.03	InChI=1S/C11H18FNO9/c1-3(15)13-5-7(18)9(12)11(21,10(19)20)22-8(5)6(17)4(16)2-14/h4-9,14,16-18,21H,2H2,1H3,(H,13,15)(H,19,20)/t4-,5-,6-,7-,8-,9-,11+/m1/s1
InChIKey	InChI	1.03	ALJLGESFXXDPKH-RISWTRDCSA-N

Drug Info: DrugBank

DrugBank ID	DB04211
Name	5-(acetylamino)-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid
Groups	experimental
Synonyms	5-(acetylamino)-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid

Related Resource References

Resource Name	Reference
PubChem	448471

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.