BioLiP

PDB

BioLiP

PDB CCD ID:

HG3

Number of entries in BioLiP:

Chemical formula:

C3 H9 O7 P

InChI:

InChI=1S/C3H9O7P/c4-2(3(5)6)1-10-11(7,8)9/h2-6H,1H2,(H2,7,8,9)/t2-/m1/s1

InChIKey:

TWWJQBIRJNUHBT-UWTATZPHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.5	C(C(C(O)O)O)OP(=O)(O)O
CACTVS 3.385	OC(O)[CH](O)CO[P](O)(O)=O
CACTVS 3.385	OC(O)[C@H](O)CO[P](O)(O)=O
OpenEye OEToolkits 2.0.5	C([C@H](C(O)O)O)OP(=O)(O)O

Name:

[(2~{R})-2,3,3-tris(oxidanyl)propyl] dihydrogen phosphate

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).