SEQ2FUN

BioLiP

PDB CCD ID: LGC
Number of entries in BioLiP: 26
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-/m1/s1
InChIKey: PHOQVHQSTUBQQK-SQOUGZDYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O
CACTVS 3.341OC[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.341OC[CH]1OC(=O)[CH](O)[CH](O)[CH]1O
ACDLabs 10.04O=C1OC(CO)C(O)C(O)C1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(=O)O1)O)O)O)O
Name:D-glucono-1,5-lactone;
(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2-ONE;
GLUCONOLACTONE
ChEMBL: CHEMBL1200829
DrugBank: DB04564
ZINC: ZINC000002539702
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).