BioLiP

PDB

BioLiP

PDB CCD ID:

J1W

Number of entries in BioLiP:

Chemical formula:

C16 H31 Br O2

InChI:

InChI=1S/C16H31BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3,(H,18,19)/t15-/m1/s1

InChIKey:

DPRAYRYQQAXQPE-OAHLLOKOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCCCCCCCCCCCCCC(C(=O)O)Br
CACTVS 3.385	CCCCCCCCCCCCCC[C@@H](Br)C(O)=O
OpenEye OEToolkits 2.0.6	CCCCCCCCCCCCCC[C@H](C(=O)O)Br
CACTVS 3.385	CCCCCCCCCCCCCC[CH](Br)C(O)=O

Name:

2-Bromopalmitic acid

ZINC:

ZINC000014278029

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).