BioLiP

PDB

BioLiP

PDB CCD ID:

CAB

Number of entries in BioLiP:

Chemical formula:

C5 H9 N O5

InChI:

InChI=1S/C5H9NO5/c6-3(4(8)9)1-5(10,11)2-7/h2-3,10-11H,1,6H2,(H,8,9)/t3-/m0/s1

InChIKey:

NKTBKFGHLWDKLW-VKHMYHEASA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=CC(O)(O)CC(C(=O)O)N
CACTVS 3.370	N[CH](CC(O)(O)C=O)C(O)=O
CACTVS 3.370	N[C@@H](CC(O)(O)C=O)C(O)=O
OpenEye OEToolkits 1.7.0	C(C(C(=O)O)N)C(C=O)(O)O
OpenEye OEToolkits 1.7.0	C([C@@H](C(=O)O)N)C(C=O)(O)O

Name:

4,4-dihydroxy-5-oxo-L-norvaline

ZINC:

ZINC000002046953

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).