BioLiP

PDB

BioLiP

PDB CCD ID:

76I

Number of entries in BioLiP:

Chemical formula:

C5 H11 N O4

InChI:

InChI=1S/C5H11NO4/c1-3(2)6(10)4(7)5(8)9/h3-4,7,10H,1-2H3,(H,8,9)/t4-/m0/s1

InChIKey:

SAXCDYFGYFOTMB-BYPYZUCNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C)N(C(C(=O)O)O)O
CACTVS 3.385	CC(C)N(O)[CH](O)C(O)=O
CACTVS 3.385	CC(C)N(O)[C@@H](O)C(O)=O
OpenEye OEToolkits 2.0.7	CC(C)N([C@H](C(=O)O)O)O

Name:

(2S)-2-oxidanyl-2-[oxidanyl(propan-2-yl)amino]ethanoic acid;
2-hydroxy-2-(hydroxy(isopropyl)amino)acetate;
(2S)-2-Hydroxy-2-[hydroxy(propan-2-yl)amino]acetic acid;
87438397

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).