BioLiP

PDB

BioLiP

PDB CCD ID:

PAG

Number of entries in BioLiP:

Chemical formula:

C3 H7 O7 P

InChI:

InChI=1/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1/f/h5,7-8H

InChIKey:

GXIURPTVHJPJLF-SFISFHFCDD

SMILES:

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

Name:

2-PHOSPHO-D-GLYCERIC 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).