BioLiP

PDB

BioLiP

PDB CCD ID:

148

Number of entries in BioLiP:

Chemical formula:

C8 H19 N O5

InChI:

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

InChIKey:

OWMVSZAMULFTJU-UHFFFAOYAD

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C(CO)N(CCO)C(CO)(CO)CO
ACDLabs 10.04	OCCN(C(CO)(CO)CO)CCO
CACTVS 3.341	OCCN(CCO)C(CO)(CO)CO

Name:

2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-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).