BioLiP

PDB

BioLiP

PDB CCD ID:

DXN

Number of entries in BioLiP:

Chemical formula:

C6 H13 O6 P

InChI:

InChI=1/C6H13O6P/c7-5-1-4(6(8)2-5)3-12-13(9,10)11/h4-8H,1-3H2,(H2,9,10,11)/t4-,5+,6+/m1/s1/f/h9-10H

InChIKey:

BSAJVOLDMHTVPM-RSYUNOELDY

SMILES:

Software	SMILES
CACTVS 3.341	O[C@@H]1C[C@H](O)[C@@H](CO[P](O)(O)=O)C1
OpenEye OEToolkits 1.5.0	C1C(CC(C1COP(=O)(O)O)O)O
ACDLabs 10.04	O=P(OCC1CC(O)CC1O)(O)O
CACTVS 3.341	O[CH]1C[CH](O)[CH](CO[P](O)(O)=O)C1
OpenEye OEToolkits 1.5.0	C1[C@@H](C[C@@H]([C@H]1COP(=O)(O)O)O)O

Name:

(1R,3S,4R)-4-(PHOSPHOOXYMETHYL)-CYCLOPENTANE-1,3-DIOL

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).