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BioLiP Library

PDB CCD ID: CAH
Number of entries in BioLiP: 9
Chemical formula: C10 H16 O2
InChI: InChI=1S/C10H16O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6-7,11H,4-5H2,1-3H3/t6-,7+,10-/m0/s1
InChIKey: DJQYBVLXBVJHMU-PJKMHFRUSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC1(C)[C@H]2CC(=O)[C@]1(C)C[C@H]2O
OpenEye OEToolkits 1.5.0CC1([C@H]2CC(=O)[C@@]1(C[C@H]2O)C)C
CACTVS 3.341CC1(C)[CH]2CC(=O)[C]1(C)C[CH]2O
OpenEye OEToolkits 1.5.0CC1(C2CC(=O)C1(CC2O)C)C
ACDLabs 10.04O=C1CC2C(C)(C1(CC2O)C)C
Name:5-EXO-HYDROXYCAMPHOR
DrugBank: DB02817
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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