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BioLiP Library

PDB CCD ID: 12W
Number of entries in BioLiP: 0
Chemical formula: C6 H10 O3
InChI: InChI=1S/C6H10O3/c7-6(8)9-5-3-1-2-4-5/h5H,1-4H2,(H,7,8)
InChIKey: AVOZEJJQAGFSRD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)OC1CCCC1
CACTVS 3.370OC(=O)OC1CCCC1
OpenEye OEToolkits 1.7.6C1CCC(C1)OC(=O)O
Name:cyclopentyl hydrogen carbonate
ZINC: ZINC000034850006
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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