BioLiP

PDB

BioLiP

PDB CCD ID:

FOP

Number of entries in BioLiP:

Chemical formula:

C3 H10 N O

InChI:

InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/p+1/t3-/m1/s1

InChIKey:

HXKKHQJGJAFBHI-GSVOUGTGSA-O

SMILES:

Software	SMILES
ACDLabs 10.04	OC(C)C[NH3+]
OpenEye OEToolkits 1.5.0	CC(C[NH3+])O
OpenEye OEToolkits 1.5.0	C[C@H](C[NH3+])O
CACTVS 3.341	C[C@@H](O)C[NH3+]
CACTVS 3.341	C[CH](O)C[NH3+]

Name:

2-HYDROXY-PROPYL-AMMONIUM;
F-LOOP OF VITAMIN B12

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).