BioLiP

PDB

BioLiP

PDB CCD ID:

A1L8M

Number of entries in BioLiP:

Chemical formula:

C32 H58 O5

InChI:

InChI=1S/C32H58O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(35)37-30(28-33)29-36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h10-13,30,33H,3-9,14-29H2,1-2H3/b12-10+,13-11-/t30-/m0/s1

InChIKey:

BXDNXAULBWUASM-MBCKKLRHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C/CCCC
CACTVS 3.385	CCCCCC=CCCCCCCCC(=O)O[CH](CO)COC(=O)CCCCCCCC=CCCCC
CACTVS 3.385	CCCCC\C=C/CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C/CCCC
OpenEye OEToolkits 2.0.7	CCCCCC=CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCC=CCCCC

Name:

[(2S)-1-oxidanyl-3-[(E)-tetradec-9-enoyl]oxy-propan-2-yl] (Z)-pentadec-9-enoate

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).