BioLiP

PDB

BioLiP

PDB CCD ID:

LEO

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(=C)[C@@H]1CC[C@]2([C@@H](C1)O2)C
OpenEye OEToolkits 1.5.0	CC(=C)C1CCC2(C(C1)O2)C
CACTVS 3.341	CC(=C)[CH]1CC[C]2(C)O[CH]2C1
CACTVS 3.341	CC(=C)[C@@H]1CC[C@]2(C)O[C@@H]2C1
ACDLabs 10.04	O1C2(C)CCC(/C(=C)C)CC12

Name:

D-LIMONENE 1,2-EPOXIDE

ZINC:

ZINC000004097365

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).