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BioLiP

PDB CCD ID: JH2
Number of entries in BioLiP: 2
Chemical formula: C17 H28 O3
InChI: InChI=1S/C17H28O3/c1-6-17(4)15(20-17)11-10-13(2)8-7-9-14(3)12-16(18)19-5/h8,12,15H,6-7,9-11H2,1-5H3/b13-8+,14-12+/t15-,17+/m1/s1
InChIKey: CPVQJXZBSGXTGJ-TZDLBHCHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CC[C]1(C)O[CH]1CCC(C)=CCCC(C)=CC(=O)OC
OpenEye OEToolkits 1.7.0CC[C@]1([C@H](O1)CC/C(=C/CC/C(=C/C(=O)OC)/C)/C)C
ACDLabs 12.01O=C(OC)\C=C(/C)CC\C=C(/C)CCC1OC1(CC)C
CACTVS 3.370CC[C@]1(C)O[C@@H]1CC/C(C)=C/CC/C(C)=C/C(=O)OC
OpenEye OEToolkits 1.7.0CCC1(C(O1)CCC(=CCCC(=CC(=O)OC)C)C)C
Name:methyl (2E,6E)-9-[(2R,3S)-3-ethyl-3-methyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate;
JH II, Juvenile hormone II
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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