BioLiP

PDB

BioLiP

PDB CCD ID:

CMJ

Number of entries in BioLiP:

Chemical formula:

C43 H88

InChI:

InChI=1S/C43H88/c1-4-6-8-10-12-14-16-18-20-22-23-24-26-28-30-32-34-36-38-40-42-43(3)41-39-37-35-33-31-29-27-25-21-19-17-15-13-11-9-7-5-2/h43H,4-42H2,1-3H3/t43-/m0/s1

InChIKey:

RQRQHJNVHOWJHC-QLKFWGTOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCCCCCCCCCCCC[C@@H](C)CCCCCCCCCCCCCCCCCCC
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CCCCCCCCCCCCCCCCCCCCCCC(C)CCCCCCCCCCCCCCCCCCC
ACDLabs 10.04	C(CCCCCCCC(C)CCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCC

Name:

(20S)-20-methyldotetracontane

ZINC:

ZINC000058638435

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).