BioLiP

PDB

BioLiP

PDB CCD ID:

ALV

Number of entries in BioLiP:

Chemical formula:

C3 H9 N O2

InChI:

InChI=1S/C3H9NO2/c1-2(4)3(5)6/h2-3,5-6H,4H2,1H3/t2-/m0/s1

InChIKey:

QEKPBYCXURULNE-REOHCLBHSA-N

SMILES:

Software	SMILES
CACTVS 3.370	C[C@H](N)C(O)O
OpenEye OEToolkits 1.7.0	CC(C(O)O)N
CACTVS 3.370	C[CH](N)C(O)O
ACDLabs 12.01	OC(O)C(N)C
OpenEye OEToolkits 1.7.0	C[C@@H](C(O)O)N

Name:

(2S)-2-aminopropane-1,1-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).