BioLiP

PDB

BioLiP

PDB CCD ID:

0V5

Number of entries in BioLiP:

Chemical formula:

C3 H7 O6 P

InChI:

InChI=1S/C3H7O6P/c1-2(3(4)5)9-10(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)/t2-/m1/s1

InChIKey:

CSZRNWHGZPKNKY-UWTATZPHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C[C@H](C(=O)O)OP(=O)(O)O
CACTVS 3.370	C[CH](O[P](O)(O)=O)C(O)=O
CACTVS 3.370	C[C@@H](O[P](O)(O)=O)C(O)=O
ACDLabs 12.01	O=P(OC(C(=O)O)C)(O)O
OpenEye OEToolkits 1.7.6	CC(C(=O)O)OP(=O)(O)O

Name:

(2R)-2-(phosphonooxy)propanoic acid

ChEMBL:

CHEMBL1941138

DrugBank:

DB01733

ZINC:

ZINC000006491507

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).