BioLiP

PDB

BioLiP

PDB CCD ID:

Z0P

Number of entries in BioLiP:

Chemical formula:

C37 H70 O5

InChI:

InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,35,38H,3-12,14,16-34H2,1-2H3/b15-13-/t35-/m0/s1

InChIKey:

IIEPDWHEGOSXLD-NMYQGLQJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCC=CCCCCCC
OpenEye OEToolkits 1.7.6	CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\CCCCCC
ACDLabs 12.01	O=C(OC(CO)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCC\C=C/CCCCCC
CACTVS 3.370	CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC\C=C/CCCCCC
CACTVS 3.370	CCCCCCCCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCCCC=CCCCCCC

Name:

(2S)-1-(hexadecanoyloxy)-3-hydroxypropan-2-yl (11Z)-octadec-11-enoate

ZINC:

ZINC000040164687

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).