BioLiP

PDB

BioLiP

PDB CCD ID:

NGF

Number of entries in BioLiP:

Chemical formula:

C11 H19 N O10

InChI:

InChI=1S/C11H19NO10/c13-2-6(17)9(19)10(20)8(12-7(18)3-14)4(15)1-5(16)11(21)22/h4,6,8-10,13-15,17,19-20H,1-3H2,(H,12,18)(H,21,22)/t4-,6+,8+,9+,10+/m0/s1

InChIKey:

SUHQNCLNRUAGOO-KQCZLNONSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C([C@@H]([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)NC(=O)CO)O)C(=O)C(=O)O
CACTVS 3.370	OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](NC(=O)CO)[C@@H](O)CC(=O)C(O)=O
CACTVS 3.370	OC[CH](O)[CH](O)[CH](O)[CH](NC(=O)CO)[CH](O)CC(=O)C(O)=O
OpenEye OEToolkits 1.7.6	C(C(C(C(C(C(CO)O)O)O)NC(=O)CO)O)C(=O)C(=O)O
ACDLabs 12.01	O=C(O)C(=O)CC(O)C(NC(=O)CO)C(O)C(O)C(O)CO

Name:

3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-D-galacto-non-2-ulosonic acid;
N-glycolylneuraminic acid, ketone form

ZINC:

ZINC000095920519

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).