BioLiP

PDB

BioLiP

PDB CCD ID:

ILX

Number of entries in BioLiP:

Chemical formula:

C6 H13 N O4

InChI:

InChI=1S/C6H13NO4/c1-3(4(9)2-8)5(7)6(10)11/h3-5,8-9H,2,7H2,1H3,(H,10,11)/t3-,4-,5-/m0/s1

InChIKey:

SGFRTCOTCWGGHB-YUPRTTJUSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C[C@@H]([C@H](CO)O)[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0	CC(C(CO)O)C(C(=O)O)N
CACTVS 3.341	C[C@H]([C@H](N)C(O)=O)[C@@H](O)CO
CACTVS 3.341	C[CH]([CH](N)C(O)=O)[CH](O)CO
ACDLabs 10.04	O=C(O)C(N)C(C)C(O)CO

Name:

4,5-DIHYDROXYISOLEUCINE

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).