BioLiP

PDB

BioLiP

PDB CCD ID:

STA

Number of entries in BioLiP:

Chemical formula:

C8 H17 N O3

InChI:

InChI=1S/C8H17NO3/c1-5(2)3-6(9)7(10)4-8(11)12/h5-7,10H,3-4,9H2,1-2H3,(H,11,12)/t6-,7-/m0/s1

InChIKey:

DFVFTMTWCUHJBL-BQBZGAKWSA-N

SMILES:

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

Name:

STATINE

ZINC:

ZINC000002384831

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).