BioLiP

PDB

BioLiP

PDB CCD ID:

CE7

Number of entries in BioLiP:

Chemical formula:

C4 H10 N2 O4

InChI:

InChI=1S/C4H10N2O4/c5-2(1-3(6)7)4(8,9)10/h2,8-10H,1,5H2,(H2,6,7)/t2-/m0/s1

InChIKey:

USGVMGIFCLHDGU-REOHCLBHSA-N

SMILES:

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

Name:

(3S)-3-amino-4,4,4-trihydroxybutanamide

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).