BioLiP

PDB

BioLiP

PDB CCD ID:

JH3

Number of entries in BioLiP:

Chemical formula:

C16 H26 O3

InChI:

InChI=1S/C16H26O3/c1-12(9-10-14-16(3,4)19-14)7-6-8-13(2)11-15(17)18-5/h7,11,14H,6,8-10H2,1-5H3/b12-7+,13-11+/t14-/m1/s1

InChIKey:

QVJMXSGZTCGLHZ-HONBPKQLSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C/C(=C\CC/C(=C/C(=O)OC)/C)/CC[C@@H]1C(O1)(C)C
OpenEye OEToolkits 1.5.0	CC(=CCCC(=CC(=O)OC)C)CCC1C(O1)(C)C
ACDLabs 10.04	O=C(OC)\C=C(\CC/C=C(/CCC1OC1(C)C)C)C
CACTVS 3.341	COC(=O)C=C(C)CCC=C(C)CC[CH]1OC1(C)C
CACTVS 3.341	COC(=O)\C=C(/C)CC\C=C(/C)CC[C@H]1OC1(C)C

Name:

methyl (2E,6E)-9-[(2R)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate;
JH III;
juvenile hormone III

ZINC:

ZINC000013536517

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).