BioLiP

PDB

BioLiP

PDB CCD ID:

CAH

Number of entries in BioLiP:

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:

Software	SMILES
CACTVS 3.341	CC1(C)[C@H]2CC(=O)[C@]1(C)C[C@H]2O
OpenEye OEToolkits 1.5.0	CC1([C@H]2CC(=O)[C@@]1(C[C@H]2O)C)C
CACTVS 3.341	CC1(C)[CH]2CC(=O)[C]1(C)C[CH]2O
OpenEye OEToolkits 1.5.0	CC1(C2CC(=O)C1(CC2O)C)C
ACDLabs 10.04	O=C1CC2C(C)(C1(CC2O)C)C

Name:

5-EXO-HYDROXYCAMPHOR

DrugBank:

DB02817

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).