BioLiP

PDB

BioLiP

PDB CCD ID:

80Y

Number of entries in BioLiP:

Chemical formula:

C8 H18 N O9 P

InChI:

InChI=1S/C8H18NO9P/c9-1-2-16-19(14,15)17-3-4-5(10)6(11)7(12)8(13)18-4/h4-8,10-13H,1-3,9H2,(H,14,15)/t4-,5-,6+,7+,8+/m1/s1

InChIKey:

MMKGFVVPDOLYRA-HEIBUPTGSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NCCO[P](O)(=O)OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7	C(COP(=O)(O)OCC1C(C(C(C(O1)O)O)O)O)N
OpenEye OEToolkits 2.0.7	C(COP(=O)(O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)N
CACTVS 3.385	NCCO[P](O)(=O)OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O

Name:

2-azanylethyl [(2R,3S,4S,5S,6S)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl hydrogen phosphate

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).