BioLiP

PDB

BioLiP

PDB CCD ID:

9VD

Number of entries in BioLiP:

Chemical formula:

C4 H9 N O2

InChI:

InChI=1S/C4H9NO2/c1-3(7)4(5)2-6/h2-4,7H,5H2,1H3/t3-,4+/m0/s1

InChIKey:

ORDNBIQZKXYGTM-IUYQGCFVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CC(C(C=O)N)O
CACTVS 3.385	C[C@H](O)[C@H](N)C=O
OpenEye OEToolkits 2.0.6	CC([C@@H](C=O)N)O
ACDLabs 12.01	C(=O)C(C(O)C)N
CACTVS 3.385	C[CH](O)[CH](N)C=O

Name:

(2S,3S)-2-amino-3-hydroxybutanal

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).