BioLiP

PDB

BioLiP

PDB CCD ID:

7E9

Number of entries in BioLiP:

Chemical formula:

C17 H32 O4

InChI:

InChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-16(14-18)15-19/h7-8,16,18-19H,2-6,9-15H2,1H3/b8-7-

InChIKey:

SSMGVWSPWWDBRB-FPLPWBNLSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(OC(CO)CO)CCCCC\C=C/CCCCCC
OpenEye OEToolkits 1.7.0	CCCCCC/C=C\CCCCCC(=O)OC(CO)CO
CACTVS 3.370	CCCCCC\C=C/CCCCCC(=O)OC(CO)CO
CACTVS 3.370 OpenEye OEToolkits 1.7.0	CCCCCCC=CCCCCCC(=O)OC(CO)CO

Name:

1,3-DIHYDROXYPROPAN-2-YL (Z)-TETRADEC-7-ENOATE

ZINC:

ZINC000095921216

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).