BioLiP

PDB

BioLiP

PDB CCD ID:

8WY

Number of entries in BioLiP:

Chemical formula:

C6 H13 N O4

InChI:

InChI=1S/C6H13NO4/c1-6(10,11)3-2-4(7)5(8)9/h4,10-11H,2-3,7H2,1H3,(H,8,9)/t4-/m0/s1

InChIKey:

CRZSOCVDEBRAJD-BYPYZUCNSA-N

SMILES:

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

Name:

5,5-dihydroxy-L-norleucine

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).