SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C17 H26 O4

InChI:

InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3

InChIKey:

IRSFLDGTOHBADP-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O
OpenEye OEToolkits 1.7.6	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O
ACDLabs 12.01	O=C1C=C(O)C(=O)C(=C1O)CCCCCCCCCCC

Name:

2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione

ChEMBL:

ZINC:

ZINC000001531764

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).