BioLiP

PDB

BioLiP

PDB CCD ID:

LJQ

Number of entries in BioLiP:

Chemical formula:

C30 H58 O5

InChI:

InChI=1S/C30H58O5/c1-3-5-7-9-11-13-14-15-17-19-21-23-25-30(33)35-28(26-31)27-34-29(32)24-22-20-18-16-12-10-8-6-4-2/h28,31H,3-27H2,1-2H3/t28-/m0/s1

InChIKey:

IWQJHHBIHRVMSK-NDEPHWFRSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCCCCCCCCCCCCC(=O)O[CH](CO)COC(=O)CCCCCCCCCCC
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCC
OpenEye OEToolkits 2.0.7	CCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCC

Name:

[(2~{S})-1-dodecanoyloxy-3-oxidanyl-propan-2-yl] pentadecanoate

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).