BioLiP

PDB

BioLiP

PDB CCD ID:

ULW

Number of entries in BioLiP:

Chemical formula:

C22 H35 N O4

InChI:

InChI=1S/C22H35NO4/c1-17(2)7-5-8-18(3)9-6-10-19(4)14-16-27-22(26)13-15-23-20(24)11-12-21(23)25/h9,14,17H,5-8,10-13,15-16H2,1-4H3/b18-9-,19-14-

InChIKey:

UEVQPHSWLLGCMH-WALGPUPZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C)CCC/C(=C\CC/C(=C\COC(=O)CCN1C(=O)CCC1=O)/C)/C
CACTVS 3.385	CC(C)CCCC(C)=CCCC(C)=CCOC(=O)CCN1C(=O)CCC1=O
OpenEye OEToolkits 2.0.7	CC(C)CCCC(=CCCC(=CCOC(=O)CCN1C(=O)CCC1=O)C)C
CACTVS 3.385	CC(C)CCCC(\C)=C/CCC(/C)=C\COC(=O)CCN1C(=O)CCC1=O

Name:

[(2~{Z},6~{Z})-3,7,11-trimethyldodeca-2,6-dienyl] 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]propanoate

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).