BioLiP

PDB

BioLiP

PDB CCD ID:

X15

Number of entries in BioLiP:

Chemical formula:

C3 H8 O10 P2

InChI:

InChI=1S/C3H8O10P2/c4-2(1-12-14(6,7)8)3(5)13-15(9,10)11/h2,4H,1H2,(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1

InChIKey:

LJQLQCAXBUHEAZ-UWTATZPHSA-N

SMILES:

Software	SMILES
CACTVS 3.352	O[CH](CO[P](O)(O)=O)C(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.6.1	C([C@H](C(=O)OP(=O)(O)O)O)OP(=O)(O)O
CACTVS 3.352	O[C@H](CO[P](O)(O)=O)C(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.6.1	C(C(C(=O)OP(=O)(O)O)O)OP(=O)(O)O
ACDLabs 10.04	O=P(O)(O)OCC(O)C(=O)OP(=O)(O)O

Name:

1,3-BISPHOSPHOGLYCERIC ACID

ZINC:

ZINC000003869887

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).