BioLiP

PDB

BioLiP

PDB CCD ID:

FSI

Number of entries in BioLiP:

Chemical formula:

C11 H18 F N O9

InChI:

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:

ALJLGESFXXDPKH-RISWTRDCSA-N

SMILES:

Software	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
OpenEye OEToolkits 1.7.6	CC(=O)NC1C(C(C(OC1C(C(CO)O)O)(C(=O)O)O)F)O
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
ACDLabs 12.01	O=C(O)C1(O)OC(C(NC(=O)C)C(O)C1F)C(O)C(O)CO
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

Name:

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

DrugBank:

DB04211

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).