BioLiP

PDB

BioLiP

PDB CCD ID:

SLM

Number of entries in BioLiP:

Chemical formula:

C11 H20 N2 O8

InChI:

InChI=1S/C11H20N2O8/c1-4(15)13-7-5(16)2-11(20,10(12)19)21-9(7)8(18)6(17)3-14/h5-9,14,16-18,20H,2-3H2,1H3,(H2,12,19)(H,13,15)/t5-,6+,7+,8+,9+,11-/m0/s1

InChIKey:

PKSULYZGXFBQIQ-PFQGKNLYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.6.1	CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)N)O)O
OpenEye OEToolkits 1.6.1	CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)N)O)O
CACTVS 3.352	CC(=O)N[CH]1[CH](O)C[C](O)(O[CH]1[CH](O)[CH](O)CO)C(N)=O
CACTVS 3.352	CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(N)=O
ACDLabs 10.04	O=C(N)C1(O)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1

Name:

(2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide;
SIALYLAMIDE

ZINC:

ZINC000087527805

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).