BioLiP

PDB

BioLiP

PDB CCD ID:

96H

Number of entries in BioLiP:

Chemical formula:

C9 H21 N O3

InChI:

InChI=1S/C9H21NO3/c1-7(11)4-10(5-8(2)12)6-9(3)13/h7-9,11-13H,4-6H2,1-3H3/t7-,8-,9-/m0/s1

InChIKey:

SLINHMUFWFWBMU-CIUDSAMLSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CC(CN(CC(C)O)CC(C)O)O
OpenEye OEToolkits 2.0.6	C[C@@H](CN(C[C@H](C)O)C[C@H](C)O)O
CACTVS 3.385	C[C@H](O)CN(C[C@H](C)O)C[C@H](C)O
CACTVS 3.385	C[CH](O)CN(C[CH](C)O)C[CH](C)O

Name:

Triisopropanolamine

ZINC:

ZINC000100649866

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).