BioLiP

PDB

BioLiP

PDB CCD ID:

ZPG

Number of entries in BioLiP:

Chemical formula:

C21 H44 O8

InChI:

InChI=1S/C21H44O8/c1-15(22)8-24-10-17(3)26-12-19(5)28-14-21(7)29-13-20(6)27-11-18(4)25-9-16(2)23/h15-23H,8-14H2,1-7H3/t15-,16+,17+,18-,19+,20-,21+/m1/s1

InChIKey:

XGDXHSHOQKNIEW-YSPFXGIPSA-N

SMILES:

Software	SMILES
CACTVS 3.341	C[C@@H](O)COC[C@H](C)OC[C@H](C)OC[C@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)O
CACTVS 3.341	C[CH](O)COC[CH](C)OC[CH](C)OC[CH](C)OC[CH](C)OC[CH](C)OC[CH](C)O
OpenEye OEToolkits 1.5.0	C[C@H](COC[C@H](C)OC[C@H](C)OC[C@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)O)O
ACDLabs 10.04	O(CC(O)C)C(COC(C)COC(C)COC(C)COC(C)COCC(O)C)C
OpenEye OEToolkits 1.5.0	CC(COCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)O)O

Name:

(2S,5R,8R,11S,14S,17S,21R)-5,8,11,14,17-PENTAMETHYL-4,7,10,13,16,19-HEXAOXADOCOSANE-2,21-DIOL

ZINC:

ZINC000016052094

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).