SEQ2FUN

BioLiP

PDB CCD ID: GAE
Number of entries in BioLiP: 2
Chemical formula: C6 H10 O8
InChI: InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3+,4-
InChIKey: DSLZVSRJTYRBFB-DUHBMQHGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(C(C(=O)O)O)O)(C(C(=O)O)O)O
ACDLabs 10.04O=C(O)C(O)C(O)C(O)C(O)C(=O)O
OpenEye OEToolkits 1.5.0[C@H]([C@H]([C@@H](C(=O)O)O)O)([C@H](C(=O)O)O)O
CACTVS 3.341O[CH]([CH](O)[CH](O)C(O)=O)[CH](O)C(O)=O
CACTVS 3.341O[C@@H]([C@@H](O)[C@H](O)C(O)=O)[C@@H](O)C(O)=O
Name:D-galactaric acid
ChEMBL: CHEMBL1232958
ZINC: ZINC000012359024
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).