BioLiP

PDB

BioLiP

PDB CCD ID:

1HD

Number of entries in BioLiP:

Chemical formula:

C5 H12 N2 O2

InChI:

InChI=1S/C5H12N2O2/c1-4(9)7-2-5(6)3-8/h5,8H,2-3,6H2,1H3,(H,7,9)/t5-/m0/s1

InChIKey:

FGWRNRQRNIHEGV-YFKPBYRVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CC(=O)NC[C@@H](CO)N
CACTVS 3.370	CC(=O)NC[CH](N)CO
CACTVS 3.370	CC(=O)NC[C@H](N)CO
OpenEye OEToolkits 1.7.6	CC(=O)NCC(CO)N
ACDLabs 12.01	O=C(NCC(N)CO)C

Name:

N-[(2S)-2-amino-3-hydroxypropyl]acetamide

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).