BioLiP

PDB

BioLiP

PDB CCD ID:

RSG

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+/m1/s1

InChIKey:

RCDXYCHYMULCDZ-PBXRRBTRSA-N

SMILES:

Software	SMILES
CACTVS 3.370	O[CH]1CO[CH]2OCC[CH]12
OpenEye OEToolkits 1.7.2	C1COC2C1C(CO2)O
CACTVS 3.370	O[C@@H]1CO[C@@H]2OCC[C@H]12
OpenEye OEToolkits 1.7.2	C1CO[C@@H]2[C@H]1[C@@H](CO2)O
ACDLabs 12.01	OC1COC2OCCC12

Name:

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

ZINC:

ZINC000022012705

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).