BioLiP

PDB

BioLiP

PDB CCD ID:

PVI

Number of entries in BioLiP:

Chemical formula:

C7 H11 N O4

InChI:

InChI=1S/C7H11NO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,9-10H,2,8H2,(H,11,12)/t4-,5+,6+/m0/s1

InChIKey:

WPZSUTUAATWRPU-KVQBGUIXSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[CH]1C=C(C[CH](O)[CH]1O)C(O)=O
OpenEye OEToolkits 2.0.7	C1[C@H]([C@@H](C(C=C1C(=O)O)N)O)O
CACTVS 3.385	N[C@H]1C=C(C[C@@H](O)[C@@H]1O)C(O)=O
OpenEye OEToolkits 2.0.7	C1C(C(C(C=C1C(=O)O)N)O)O

Name:

(4R,5R)-3-amino-4,5-dihydroxy-cyclohexene-1-carboxylic acid;
(4~{R},5~{R})-3-amino-4,5-dihydroxy-cyclohexene-1-carboxylic acid

ChEMBL:

CHEMBL1794750

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).