BioLiP

PDB

BioLiP

PDB CCD ID:

DO2

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O5

InChI:

InChI=1S/C6H11NO5/c7-4(5(9)10)1-2-6(11,12)3-8/h3-4,11-12H,1-2,7H2,(H,9,10)/t4-/m0/s1

InChIKey:

GRXWCZHHLRJOLV-BYPYZUCNSA-N

SMILES:

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

Name:

5,5-dihydroxy-6-oxo-L-norleucine

ZINC:

ZINC000098208807

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).