BioLiP

PDB

BioLiP

PDB CCD ID:

KSV

Number of entries in BioLiP:

108

Chemical formula:

C5 H13 O6 P

InChI:

InChI=1S/C5H13O6P/c1-2-10-12(8,9)11-4-5(7)3-6/h5-7H,2-4H2,1H3,(H,8,9)/t5-/m1/s1

InChIKey:

DXARXEBAXKHIOU-RXMQYKEDSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCOP(=O)(O)OC[C@@H](CO)O
CACTVS 3.385	CCO[P](O)(=O)OC[C@H](O)CO
ACDLabs 12.01	C(C)OP(=O)(OCC(CO)O)O
OpenEye OEToolkits 2.0.6	CCOP(=O)(O)OCC(CO)O
CACTVS 3.385	CCO[P](O)(=O)OC[CH](O)CO

Name:

(2R)-2,3-dihydroxypropyl ethyl hydrogen (S)-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).