SEQ2FUN

BioLiP

PDB CCD ID: L14
Number of entries in BioLiP: 2
Chemical formula: C8 H12 O4
InChI: InChI=1S/C8H12O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6-
InChIKey: PXGZQGDTEZPERC-IZLXSQMJSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1CC(CCC1C(=O)O)C(=O)O
CACTVS 3.370OC(=O)[CH]1CC[CH](CC1)C(O)=O
ACDLabs 12.01O=C(O)C1CCC(C(=O)O)CC1
CACTVS 3.370OC(=O)[C@@H]1CC[C@H](CC1)C(O)=O
Name:trans-cyclohexane-1,4-dicarboxylic acid
ZINC: ZINC000100020651

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).