BioLiP

PDB

BioLiP

PDB CCD ID:

89Y

Number of entries in BioLiP:

Chemical formula:

C5 H8 O5

InChI:

InChI=1S/C5H8O5/c6-1-5(9)2-10-4(8)3(5)7/h3,6-7,9H,1-2H2/t3-,5+/m0/s1

InChIKey:

MTSAHRPUAGVYCZ-WVZVXSGGSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C1[C@@]([C@H](C(=O)O1)O)(CO)O
CACTVS 3.385	OC[C]1(O)COC(=O)[CH]1O
CACTVS 3.385	OC[C@@]1(O)COC(=O)[C@@H]1O
ACDLabs 12.01	OC1C(=O)OCC1(O)CO
OpenEye OEToolkits 2.0.6	C1C(C(C(=O)O1)O)(CO)O

Name:

(3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-one

ZINC:

ZINC000584905408

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).