BioLiP

PDB

BioLiP

PDB CCD ID:

GH7

Number of entries in BioLiP:

Chemical formula:

C6 H9 N O4

InChI:

InChI=1S/C6H9NO4/c8-5(9)4-3-1-2-10-6(3)11-7-4/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+,6+/m1/s1

InChIKey:

AHDAIGARUALBIP-IWGUZYHVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C1CO[C@@H]2[C@H]1[C@H](NO2)C(=O)O
OpenEye OEToolkits 2.0.6	C1COC2C1C(NO2)C(=O)O
ACDLabs 12.01	N1C(C2C(O1)OCC2)C(O)=O
CACTVS 3.385	OC(=O)[C@H]1NO[C@@H]2OCC[C@H]12
CACTVS 3.385	OC(=O)[CH]1NO[CH]2OCC[CH]12

Name:

(3S,3aR,6aS)-hexahydrofuro[3,2-d][1,2]oxazole-3-carboxylic acid

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).