BioLiP

PDB

BioLiP

PDB CCD ID:

GRF

Number of entries in BioLiP:

Chemical formula:

C5 H12 N O7 P

InChI:

InChI=1S/C5H12NO7P/c6-5-4(8)3(7)2(13-5)1-12-14(9,10)11/h2-5,7-8H,1,6H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1

InChIKey:

SKCBPEVYGOQGJN-TXICZTDVSA-N

SMILES:

Software	SMILES
CACTVS 3.341	N[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0	C(C1C(C(C(O1)N)O)O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0	C([C@@H]1[C@H]([C@H]([C@@H](O1)N)O)O)OP(=O)(O)O
CACTVS 3.341	N[C@@H]1O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]1O
ACDLabs 10.04	O=P(O)(O)OCC1OC(N)C(O)C1O

Name:

5-O-phosphono-beta-D-ribofuranosylamine;
5-O-phosphono-beta-D-ribosylamine;
5-O-phosphono-D-ribosylamine;
5-O-phosphono-ribosylamine

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).