BioLiP

PDB

BioLiP

PDB CCD ID:

A1CAY

Number of entries in BioLiP:

Chemical formula:

C10 H16 N2 O7

InChI:

InChI=1S/C10H16N2O7/c1-3(13)11-5-6(12-4(2)14)10(18)19-8(7(5)15)9(16)17/h5-8,10,15,18H,1-2H3,(H,11,13)(H,12,14)(H,16,17)/t5-,6+,7+,8+,10-/m1/s1

InChIKey:

SOXOUCOZZYMXPU-XPMMEUEASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	CC(=O)N[C@@H]1[C@@H]([C@@H](O[C@@H]([C@H]1O)C(=O)O)O)NC(=O)C
CACTVS 3.385	CC(=O)N[C@@H]1[C@H](O)O[C@@H]([C@@H](O)[C@@H]1NC(C)=O)C(O)=O
ACDLabs 14.52	OC1OC(C(O)C(NC(C)=O)C1NC(C)=O)C(=O)O
OpenEye OEToolkits 3.1.0.0	CC(=O)NC1C(C(OC(C1O)C(=O)O)O)NC(=O)C
CACTVS 3.385	CC(=O)N[CH]1[CH](O)O[CH]([CH](O)[CH]1NC(C)=O)C(O)=O

Name:

2,3-diacetamido-2,3-dideoxy-beta-D-mannopyranuronic 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).