BioLiP

PDB

BioLiP

PDB CCD ID:

3PB

Number of entries in BioLiP:

Chemical formula:

C4 H9 O6 P

InChI:

InChI=1S/C4H9O6P/c1-3(2-4(5)6)10-11(7,8)9/h3H,2H2,1H3,(H,5,6)(H2,7,8,9)/t3-/m1/s1

InChIKey:

CEWUUYVGYVJSGW-GSVOUGTGSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(CC(=O)O)OP(=O)(O)O
CACTVS 3.341	C[C@H](CC(O)=O)O[P](O)(O)=O
ACDLabs 10.04	O=P(O)(O)OC(CC(=O)O)C
CACTVS 3.341	C[CH](CC(O)=O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0	C[C@H](CC(=O)O)OP(=O)(O)O

Name:

(3R)-3-(phosphonooxy)butanoic acid

ZINC:

ZINC000058638456

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).