BioLiP

PDB

BioLiP

PDB CCD ID:

RFW

Number of entries in BioLiP:

Chemical formula:

C8 H14 N O9 P

InChI:

InChI=1S/C8H16NO9P/c1-4(11)9-5(2-10)7(13)8(14)6(12)3-18-19(15,16)17/h2,5-8,12-14H,3H2,1H3,(H,9,11)(H2,15,16,17)/p-2/t5-,6+,7+,8+/m0/s1

InChIKey:

QDSLHWJDSQGPEE-LXGUWJNJSA-L

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)N[CH](C=O)[CH](O)[CH](O)[CH](O)CO[P]([O-])([O-])=O
ACDLabs 12.01	[O-]P([O-])(=O)OCC(O)C(O)C(O)C(C=O)NC(=O)C
OpenEye OEToolkits 1.7.6	CC(=O)NC(C=O)C(C(C(COP(=O)([O-])[O-])O)O)O
OpenEye OEToolkits 1.7.6	CC(=O)N[C@@H](C=O)[C@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O
CACTVS 3.385	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO[P]([O-])([O-])=O

Name:

N-acetyl-D-glucosamine-6-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).