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BioLiP

PDB CCD ID: SNE
Number of entries in BioLiP: 8
Chemical formula: C10 H16
InChI: InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3/t9-,10-/m0/s1
InChIKey: NDVASEGYNIMXJL-UWVGGRQHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)[C]12CCC(=C)[CH]1C2
OpenEye OEToolkits 1.7.6CC(C)C12CCC(=C)C1C2
ACDLabs 12.01C=C1/CCC2(C(C)C)CC12
CACTVS 3.385
OpenEye OEToolkits 1.7.6		CC(C)[C@@]12CCC(=C)[C@@H]1C2
Name:Sabinene;
(1S,5S)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexane
ZINC: ZINC000001599726
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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