BioLiP

PDB

BioLiP

PDB CCD ID:

A1H87

Number of entries in BioLiP:

Chemical formula:

C14 H30 O7

InChI:

InChI=1S/C14H30O7/c1-11(17)4-19-9-14(7-15,8-16)10-20-6-13(3)21-5-12(2)18/h11-13,15-18H,4-10H2,1-3H3/t11-,12-,13-/m0/s1

InChIKey:

GYGFRXYZKNFZRH-AVGNSLFASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(COCC(CO)(CO)COCC(C)OCC(C)O)O
OpenEye OEToolkits 2.0.7	C[C@@H](COCC(CO)(CO)COC[C@H](C)OC[C@H](C)O)O
CACTVS 3.385	C[CH](O)COCC(CO)(CO)COC[CH](C)OC[CH](C)O
CACTVS 3.385	C[C@H](O)COCC(CO)(CO)COC[C@H](C)OC[C@H](C)O

Name:

2-[[(2S)-2-oxidanylpropoxy]methyl]-2-[[(2S)-2-[(2S)-2-oxidanylpropoxy]propoxy]methyl]propane-1,3-diol

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).