BioLiP

PDB

BioLiP

PDB CCD ID:

PXS

Number of entries in BioLiP:

Chemical formula:

C35 H68 O4

InChI:

InChI=1S/C35H68O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-34(36)38-32-33(3)39-35(37)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h33H,4-32H2,1-3H3/t33-/m0/s1

InChIKey:

UWTZRBLIYNMYTC-XIFFEERXSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	CCCCCCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCCCCCCCC
CACTVS 3.352 OpenEye OEToolkits 1.7.0	CCCCCCCCCCCCCCCC(=O)OC[C@H](C)OC(=O)CCCCCCCCCCCCCCC
CACTVS 3.352	CCCCCCCCCCCCCCCC(=O)OC[CH](C)OC(=O)CCCCCCCCCCCCCCC
ACDLabs 11.02	O=C(OC(C)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC

Name:

(2S)-propane-1,2-diyl dihexadecanoate

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).