SEQ2FUN

BioLiP

PDB CCD ID: 3OC
Number of entries in BioLiP: 4
Chemical formula: C7 H10 O3
InChI: InChI=1S/C7H10O3/c8-6-3-1-2-5(4-6)7(9)10/h5H,1-4H2,(H,9,10)/t5-/m1/s1
InChIKey: WATQNARHYZXAGY-RXMQYKEDSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C[C@H](CC(=O)C1)C(=O)O
OpenEye OEToolkits 1.5.0C1CC(CC(=O)C1)C(=O)O
CACTVS 3.341OC(=O)[CH]1CCCC(=O)C1
CACTVS 3.341OC(=O)[C@@H]1CCCC(=O)C1
ACDLabs 10.04O=C(O)C1CC(=O)CCC1
Name:(1R)-3-oxocyclohexanecarboxylic acid
ZINC: ZINC000005019352
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).