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BioLiP

PDB CCD ID: UM7
Number of entries in BioLiP: 0
Chemical formula: C6 H12 N2 O2
InChI: InChI=1S/C6H12N2O2/c1-10-6(9)5-3-2-4-7-8-5/h5,7-8H,2-4H2,1H3/t5-/m0/s1
InChIKey: GAUFSAOOPHWSRO-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COC(=O)[CH]1CCCNN1
CACTVS 3.385
OpenEye OEToolkits 2.0.7		COC(=O)[C@@H]1CCCNN1
ACDLabs 12.01C1NNC(CC1)C(=O)OC
OpenEye OEToolkits 2.0.7COC(=O)C1CCCNN1
Name:methyl (3S)-hexahydropyridazine-3-carboxylate
ZINC: ZINC000038288957
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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