BioLiP

PDB

BioLiP

PDB CCD ID:

RSF

Number of entries in BioLiP:

Chemical formula:

C6 H10 O3

InChI:

InChI=1S/C6H10O3/c7-5-3-9-6-4(5)1-2-8-6/h4-7H,1-3H2/t4-,5-,6+/m0/s1

InChIKey:

RCDXYCHYMULCDZ-HCWXCVPCSA-N

SMILES:

Software	SMILES
CACTVS 3.341	O[CH]1CO[CH]2OCC[CH]12
OpenEye OEToolkits 1.5.0	C1CO[C@H]2C1[C@H](CO2)O
OpenEye OEToolkits 1.5.0	C1COC2C1C(CO2)O
CACTVS 3.341	O[C@H]1CO[C@H]2OCC[C@@H]12
ACDLabs 10.04	OC1COC2OCCC12

Name:

(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-ol

ZINC:

ZINC000058633067

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).