BioLiP

PDB

BioLiP

PDB CCD ID:

J7D

Number of entries in BioLiP:

Chemical formula:

C6 H14 N O9 P

InChI:

InChI=1S/C6H14NO9P/c8-3-7(12)1-4(9)6(11)5(10)2-16-17(13,14)15/h3-6,9-12H,1-2H2,(H2,13,14,15)/t4-,5+,6-/m0/s1

InChIKey:

LBJFEFHCTYMJFD-JKUQZMGJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N(C=O)O
CACTVS 3.385	O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H](O)CN(O)C=O
ACDLabs 12.01	OP(OCC(O)C(C(O)CN(O)C=O)O)(=O)O
OpenEye OEToolkits 2.0.6	C(C(C(C(COP(=O)(O)O)O)O)O)N(C=O)O
CACTVS 3.385	O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)CN(O)C=O

Name:

1-deoxy-1-[formyl(hydroxy)amino]-5-O-phosphono-D-ribitol

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).