BioLiP

PDB

BioLiP

PDB CCD ID:

X3X

Number of entries in BioLiP:

Chemical formula:

C6 H15 O8 P

InChI:

InChI=1S/C6H15O8P/c7-1-5(9)3-13-15(11,12)14-4-6(10)2-8/h5-10H,1-4H2,(H,11,12)/t5-,6-/m0/s1

InChIKey:

LLCSXHMJULHSJN-WDSKDSINSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=P(OCC(O)CO)(OCC(O)CO)O
CACTVS 3.385	OC[CH](O)CO[P](O)(=O)OC[CH](O)CO
CACTVS 3.385	OC[C@H](O)CO[P](O)(=O)OC[C@@H](O)CO
OpenEye OEToolkits 1.7.6	C(C(COP(=O)(O)OCC(CO)O)O)O
OpenEye OEToolkits 1.7.6	C([C@@H](COP(=O)(O)OC[C@H](CO)O)O)O

Name:

bis[(2S)-2,3-dihydroxypropyl] hydrogen phosphate;
diglycerolphosphate

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).