BioLiP

PDB

BioLiP

PDB CCD ID:

RTV

Number of entries in BioLiP:

Chemical formula:

C8 H15 N O5

InChI:

InChI=1S/C8H15NO5/c1-4(11)9-5-3-14-6(2-10)8(13)7(5)12/h5-8,10,12-13H,2-3H2,1H3,(H,9,11)/t5-,6-,7-,8-/m1/s1

InChIKey:

VCYYRDKGHLOTQU-WCTZXXKLSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)N[CH]1CO[CH](CO)[CH](O)[CH]1O
ACDLabs 12.01	OC1C(C(NC(C)=O)COC1CO)O
CACTVS 3.385	CC(=O)N[C@@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 2.0.7	CC(=O)NC1COC(C(C1O)O)CO
OpenEye OEToolkits 2.0.7	CC(=O)N[C@@H]1CO[C@@H]([C@H]([C@@H]1O)O)CO

Name:

2-(acetylamino)-1,5-anhydro-2-deoxy-D-mannitol

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).