BioLiP

PDB

BioLiP

PDB CCD ID:

OVU

Number of entries in BioLiP:

Chemical formula:

C7 H10 O6

InChI:

InChI=1S/C7H10O6/c8-2-1-7(12,6(10)11)5-4(13-5)3(2)9/h2-5,8-9,12H,1H2,(H,10,11)/t2-,3+,4+,5+,7-/m1/s1

InChIKey:

ASWQMJLBZXDZCM-WPCLBDJUSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	C1[C@H]([C@@H]([C@H]2[C@@H]([C@]1(C(=O)O)O)O2)O)O
CACTVS 3.385	O[C@@H]1C[C@@](O)([C@H]2O[C@H]2[C@H]1O)C(O)=O
CACTVS 3.385	O[CH]1C[C](O)([CH]2O[CH]2[CH]1O)C(O)=O
OpenEye OEToolkits 3.1.0.0	C1C(C(C2C(C1(C(=O)O)O)O2)O)O

Name:

(1~{S},2~{R},4~{R},5~{S},6~{S})-2,4,5-trihydroxy-7-oxabicyclo[4.1.0]heptane-2-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).