BioLiP

PDB

BioLiP

PDB CCD ID:

Y2A

Number of entries in BioLiP:

Chemical formula:

C6 H9 O10 P

InChI:

InChI=1S/C6H9O10P/c7-3(8)1-6(12,5(10)11)2-4(9)16-17(13,14)15/h12H,1-2H2,(H,7,8)(H,10,11)(H2,13,14,15)/t6-/m0/s1

InChIKey:

RAAPFOXFYNTKEB-LURJTMIESA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)C[C@](O)(CC(=O)O[P](O)(O)=O)C(O)=O
ACDLabs 12.01	C(C(CC(=O)OP(O)(O)=O)(C(=O)O)O)C(O)=O
OpenEye OEToolkits 2.0.7	C(C(=O)O)C(CC(=O)OP(=O)(O)O)(C(=O)O)O
CACTVS 3.385	OC(=O)C[C](O)(CC(=O)O[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7	C(C(=O)O)[C@](CC(=O)OP(=O)(O)O)(C(=O)O)O

Name:

(2S)-2-hydroxy-2-[2-oxo-2-(phosphonooxy)ethyl]butanedioic acid

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).