BioLiP

PDB

BioLiP

PDB CCD ID:

PJZ

Number of entries in BioLiP:

Chemical formula:

C30 H48 O4

InChI:

InChI=1S/C30H48O4/c1-4-6-8-10-12-14-15-16-18-19-21-23-25-29(31)33-27-28(3)34-30(32)26-24-22-20-17-13-11-9-7-5-2/h6,8,10,12,14-16,18-19,21,28H,4-5,7,9,11,13,17,20,22-27H2,1-3H3/b8-6+,12-10+,15-14+,18-16+,21-19+/t28-/m1/s1

InChIKey:

ONKSLGBBXPETKB-WGIZECGSSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CCCCCCCCCCCC(=O)OC(C)COC(=O)CCC=CC=CC=CC=CC=CCC
OpenEye OEToolkits 1.7.6	CCCCCCCCCCCC(=O)OC(C)COC(=O)CC/C=C/C=C/C=C/C=C/C=C/CC
CACTVS 3.385	CCCCCCCCCCCC(=O)O[C@H](C)COC(=O)CC\C=C\C=C\C=C\C=C\C=C\CC
CACTVS 3.385	CCCCCCCCCCCC(=O)O[CH](C)COC(=O)CCC=CC=CC=CC=CC=CCC
ACDLabs 12.01	O=C(OC(C)COC(=O)CC\C=C\C=C\C=C\C=C\C=C\CC)CCCCCCCCCCC

Name:

(2R)-2-(dodecanoyloxy)propyl (4E,6E,8E,10E,12E)-pentadeca-4,6,8,10,12-pentaenoate

ZINC:

ZINC000263620847

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).