SEQ2FUN

BioLiP

PDB CCD ID: 8S0
Number of entries in BioLiP: 7
Chemical formula: C6 H10 O6
InChI: InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m0/s1
InChIKey: PHOQVHQSTUBQQK-KLVWXMOXSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C([C@H]1[C@@H]([C@H]([C@@H](C(=O)O1)O)O)O)O
CACTVS 3.385OC[CH]1OC(=O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.6C(C1C(C(C(C(=O)O1)O)O)O)O
CACTVS 3.385OC[C@@H]1OC(=O)[C@@H](O)[C@H](O)[C@H]1O
Name:L-glucono-1,5-lactone;
(3~{S},4~{R},5~{R},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-one
ChEMBL: CHEMBL3039333
ZINC: ZINC000001532566
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).