BioLiP

PDB

BioLiP

PDB CCD ID:

49V

Number of entries in BioLiP:

Chemical formula:

C8 H11 N O6

InChI:

InChI=1S/C8H11NO6/c1-3(10)9-6-4(11)2-5(7(12)13)15-8(6)14/h2,4,6,8,11,14H,1H3,(H,9,10)(H,12,13)/t4-,6-,8?/m0/s1

InChIKey:

AHFZYQXMAHOUES-WGFRLMHRSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	CC(=O)NC1C(C=C(OC1O)C(=O)O)O
ACDLabs 12.01	O=C(O)C=1OC(O)C(NC(=O)C)C(O)C=1
CACTVS 3.385	CC(=O)N[C@@H]1[C@H](O)OC(=C[C@@H]1O)C(O)=O
OpenEye OEToolkits 1.9.2	CC(=O)N[C@H]1[C@H](C=C(OC1O)C(=O)O)O
CACTVS 3.385	CC(=O)N[CH]1[CH](O)OC(=C[CH]1O)C(O)=O

Name:

2-acetamido-2,4-dideoxy-alpha-L-erythro-hex-4-enopyranuronic acid;
2-(acetylamino)-2,4-dideoxy-alpha-L-erythro-hex-4-enopyranuronic acid;
2-acetamido-2,4-dideoxy-alpha-L-erythro-hex-4-enuronic acid;
2-acetamido-2,4-dideoxy-L-erythro-hex-4-enuronic acid;
2-acetamido-2,4-dideoxy-erythro-hex-4-enuronic 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).