BioLiP

PDB

BioLiP

PDB CCD ID:

PXN

Number of entries in BioLiP:

Chemical formula:

C17 H36 O8

InChI:

InChI=1S/C17H36O8/c1-13(18)5-22-9-17(10-23-6-14(2)19,11-24-7-15(3)20)12-25-8-16(4)21/h13-16,18-21H,5-12H2,1-4H3/t13-,14-,15-,16+/m1/s1

InChIKey:

GXEZGLLPFFKHGE-FPCVCCKLSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	C[C@H](COCC(COC[C@@H](C)O)(COC[C@@H](C)O)COC[C@H](C)O)O
CACTVS 3.370	C[C@@H](O)COC[C@](COC[C@H](C)O)(COC[C@@H](C)O)COC[C@@H](C)O
OpenEye OEToolkits 1.7.0	CC(COCC(COCC(C)O)(COCC(C)O)COCC(C)O)O
ACDLabs 12.01	O(CC(O)C)CC(COCC(O)C)(COCC(O)C)COCC(O)C
CACTVS 3.370	C[CH](O)COC[C](COC[CH](C)O)(COC[CH](C)O)COC[CH](C)O

Name:

(2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol;
PENTAERYTHRITOL PROPOXYLATE (5/4 PO/OH)

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).