BioLiP

PDB

BioLiP

PDB CCD ID:

GC9

Number of entries in BioLiP:

Chemical formula:

C11 H17 N O9

InChI:

InChI=1S/C11H17NO9/c13-2-5(16)9(18)10-8(12-7(17)3-14)4(15)1-6(21-10)11(19)20/h1,4-5,8-10,13-16,18H,2-3H2,(H,12,17)(H,19,20)/t4-,5+,8+,9-,10+/m0/s1

InChIKey:

FDONZIZJWIPGCO-CYVDNQRASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1=C(O[C@H]([C@@H]([C@H]1O)NC(=O)CO)[C@H]([C@@H](CO)O)O)C(=O)O
CACTVS 3.385	OC[CH](O)[CH](O)[CH]1OC(=C[CH](O)[CH]1NC(=O)CO)C(O)=O
CACTVS 3.385	OC[C@@H](O)[C@H](O)[C@@H]1OC(=C[C@H](O)[C@H]1NC(=O)CO)C(O)=O
ACDLabs 12.01	C1(C=C(C(O)=O)OC(C1NC(CO)=O)C(C(O)CO)O)O
OpenEye OEToolkits 2.0.7	C1=C(OC(C(C1O)NC(=O)CO)C(C(CO)O)O)C(=O)O

Name:

2,6-anhydro-3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-L-altro-non-2-enonic acid

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).