BioLiP

PDB

BioLiP

PDB CCD ID:

ZFR

Number of entries in BioLiP:

Chemical formula:

C17 H24 O4

InChI:

InChI=1S/C17H24O4/c1-13(18)6-5-9-15(19)8-4-2-3-7-14-10-16(20)12-17(21)11-14/h3,7,10-13,18,20-21H,2,4-6,8-9H2,1H3/b7-3+/t13-/m0/s1

InChIKey:

TVXRLKRGDWQGQV-MXPWBENCSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	C[C@@H](CCCC(=O)CCC/C=C/c1cc(cc(c1)O)O)O
CACTVS 3.385	C[C@H](O)CCCC(=O)CCC\C=C\c1cc(O)cc(O)c1
OpenEye OEToolkits 1.9.2	CC(CCCC(=O)CCCC=Cc1cc(cc(c1)O)O)O
CACTVS 3.385	C[CH](O)CCCC(=O)CCCC=Cc1cc(O)cc(O)c1
ACDLabs 12.01	c1c(O)cc(cc1\C=C\CCCC(=O)CCCC(O)C)O

Name:

(1E,10S)-1-(3,5-dihydroxyphenyl)-10-hydroxyundec-1-en-6-one

ZINC:

ZINC000584905723

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).