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BioLiP

PDB CCD ID: CPP
Number of entries in BioLiP: 0
Chemical formula: C7 H12 O
InChI: InChI=1S/C7H12O/c1-6(5-8)4-7-2-3-7/h5-7H,2-4H2,1H3/t6-/m0/s1
InChIKey: NOQCSSAEKDLHCI-LURJTMIESA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		C[C@@H](CC1CC1)C=O
OpenEye OEToolkits 1.5.0CC(CC1CC1)C=O
ACDLabs 10.04O=CC(C)CC1CC1
CACTVS 3.341C[CH](CC1CC1)C=O
Name:2-CYCLOPROPYLMETHYLENEPROPANAL
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).
  • 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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