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BioLiP

PDB CCD ID: LEO
Number of entries in BioLiP: 11
Chemical formula: C10 H16 O
InChI: InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9-,10+/m1/s1
InChIKey: CCEFMUBVSUDRLG-BBBLOLIVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=C)[C@@H]1CC[C@]2([C@@H](C1)O2)C
OpenEye OEToolkits 1.5.0CC(=C)C1CCC2(C(C1)O2)C
CACTVS 3.341CC(=C)[CH]1CC[C]2(C)O[CH]2C1
CACTVS 3.341CC(=C)[C@@H]1CC[C@]2(C)O[C@@H]2C1
ACDLabs 10.04O1C2(C)CCC(/C(=C)C)CC12
Name:D-LIMONENE 1,2-EPOXIDE
ZINC: ZINC000004097365
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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