BioLiP

PDB

BioLiP

PDB CCD ID:

UR5

Number of entries in BioLiP:

Chemical formula:

C6 H8 N2 O4

InChI:

InChI=1S/C6H8N2O4/c9-5-2-1-7-3(6(10)11)4(2)12-8-5/h2-4,7H,1H2,(H,8,9)(H,10,11)/t2-,3-,4-/m0/s1

InChIKey:

IOOKKDXVJPSSSC-HZLVTQRSSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1C2C(C(N1)C(=O)O)ONC2=O
CACTVS 3.385	OC(=O)[C@H]1NC[C@H]2[C@@H]1ONC2=O
OpenEye OEToolkits 2.0.7	C1[C@H]2[C@@H]([C@H](N1)C(=O)O)ONC2=O
CACTVS 3.385	OC(=O)[CH]1NC[CH]2[CH]1ONC2=O

Name:

(+)-3-Hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-6-carboxylic acid;
(3~{a}~{S},6~{S},6~{a}~{S})-3-oxidanylidene-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-6-carboxylic acid

ChEMBL:

CHEMBL133337

ZINC:

ZINC000007992849

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).