BioLiP

PDB

BioLiP

PDB CCD ID:

BLJ

Number of entries in BioLiP:

Chemical formula:

C5 H12 As N O4

InChI:

InChI=1S/C5H12AsNO4/c1-6(10,11)3-2-4(7)5(8)9/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1

InChIKey:

CXTQPLOKUBDLTK-BYPYZUCNSA-N

SMILES:

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

Name:

(2S)-2-amino-4-[hydroxy(methyl)arsoryl]butanoic acid

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).