BioLiP

PDB

BioLiP

PDB CCD ID:

DJE

Number of entries in BioLiP:

Chemical formula:

C8 H13 N O7

InChI:

InChI=1S/C8H13NO7/c1-2(10)9-3-4(11)5(12)6(7(13)14)16-8(3)15/h3-6,8,11-12,15H,1H3,(H,9,10)(H,13,14)/t3-,4-,5-,6+,8+/m1/s1

InChIKey:

KSOXQRPSZKLEOR-BFHATVPZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CC(=O)NC1C(C(C(OC1O)C(=O)O)O)O
OpenEye OEToolkits 2.0.6	CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)C(=O)O)O)O
CACTVS 3.385	CC(=O)N[CH]1[CH](O)O[CH]([CH](O)[CH]1O)C(O)=O
CACTVS 3.385	CC(=O)N[C@H]1[C@@H](O)O[C@@H]([C@H](O)[C@@H]1O)C(O)=O

Name:

2-acetamido-2-deoxy-alpha-D-galactopyranuronic acid;
alpha-D-2-N-acetylgalactosaminuronic acid;
2-acetamido-2-deoxy-alpha-D-galacturonic acid;
2-acetamido-2-deoxy-D-galacturonic acid;
2-acetamido-2-deoxy-galacturonic acid

ZINC:

ZINC000013550111

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).