BioLiP

PDB

BioLiP

PDB CCD ID:

YBT

Number of entries in BioLiP:

Chemical formula:

C8 H19 N O5 Y

InChI:

InChI=1S/C8H19NO5.Y/c10-3-1-9(2-4-11)8(5-12,6-13)7-14;/h10-14H,1-7H2;

InChIKey:

KSJVCBJVYSTBHB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1C[OH][Y]234[N]1(CC[OH]2)C(C[OH]3)(C[OH]4)CO
OpenEye OEToolkits 2.0.7	C1C[O@@H][Y]234[N]1(CC[O@@H]2)C(C[OH]3)(C[OH]4)CO
CACTVS 3.385	[Y].OCCN(CCO)C(CO)(CO)CO

Name:

BIS-(2-HYDROXYETHYL)AMINO-TRIS(HYDROXYMETHYL)METHANE YTTRIUM

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).