BioLiP

PDB

BioLiP

PDB CCD ID:

63T

Number of entries in BioLiP:

Chemical formula:

C5 H9 O7 P

InChI:

InChI=1S/C5H9O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-4,6H,1-2H2,(H2,8,9,10)/t3-,4+/m0/s1

InChIKey:

HVOUTFMBJJOKCH-IUYQGCFVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	C1[C@@H]([C@H](OC1=O)COP(=O)(O)O)O
ACDLabs 12.01	O(CC1OC(CC1O)=O)P(O)(O)=O
CACTVS 3.385	O[C@H]1CC(=O)O[C@@H]1CO[P](O)(O)=O
OpenEye OEToolkits 2.0.4	C1C(C(OC1=O)COP(=O)(O)O)O
CACTVS 3.385	O[CH]1CC(=O)O[CH]1CO[P](O)(O)=O

Name:

[(2R,3S)-3-hydroxy-5-oxotetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name)

ZINC:

ZINC000584905232

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).