BioLiP

PDB

BioLiP

PDB CCD ID:

79J

Number of entries in BioLiP:

Chemical formula:

C13 H21 N O10

InChI:

InChI=1S/C13H21NO10/c1-5(16)14-9-8(23-6(2)17)3-13(22,12(20)21)24-11(9)10(19)7(18)4-15/h7-11,15,18-19,22H,3-4H2,1-2H3,(H,14,16)(H,20,21)/t7-,8-,9+,10+,11+,13+/m0/s1

InChIKey:

LVBIMVQYUKOENY-DQBXORCPSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)OC(=O)C
OpenEye OEToolkits 2.0.6	CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@H](CO)O)O)(C(=O)O)O)OC(=O)C
CACTVS 3.385	CC(=O)N[CH]1[CH](C[C](O)(O[CH]1[CH](O)[CH](O)CO)C(O)=O)OC(C)=O
CACTVS 3.385	CC(=O)N[C@@H]1[C@H](C[C@@](O)(O[C@H]1[C@H](O)[C@@H](O)CO)C(O)=O)OC(C)=O
ACDLabs 12.01	C(O)(=O)C1(CC(OC(C)=O)C(C(O1)C(C(CO)O)O)NC(=O)C)O

Name:

4-O-acetyl-5-acetamido-3,5-dideoxy-L-glycero-alpha-D-galacto-non-2-ulopyranosonic acid;
4-O-acetyl-5-(acetylamino)-3,5-dideoxy-L-glycero-alpha-D-galacto-non-2-ulopyranosonic acid;
4-O-acetyl-5-acetamido-3,5-dideoxy-L-glycero-alpha-D-galacto-non-2-ulosonic acid;
4-O-acetyl-5-acetamido-3,5-dideoxy-L-glycero-D-galacto-non-2-ulosonic acid;
4-O-acetyl-5-acetamido-3,5-dideoxy-L-glycero-galacto-non-2-ulosonic 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).