BioLiP

PDB

BioLiP

PDB CCD ID:

ODT

Number of entries in BioLiP:

Chemical formula:

C18 H30 O2

InChI:

InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-8H,2,9-17H2,1H3,(H,19,20)/b4-3-,6-5+,8-7+

InChIKey:

ZSXWVPXJLXTOQQ-ZRGCPWHVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCC=CC=CC=CCCCCCCCCCC(=O)O
ACDLabs 10.04	O=C(O)CCCCCCCCC\C=C\C=C\C=C/CC
CACTVS 3.341	CCC=CC=CC=CCCCCCCCCCC(O)=O
CACTVS 3.341	CC\C=C/C=C/C=C/CCCCCCCCCC(O)=O
OpenEye OEToolkits 1.5.0	CC\C=C/C=C/C=C/CCCCCCCCCC(=O)O

Name:

(11E,13E,15Z)-OCTADECA-11,13,15-TRIENOIC ACID;
11-TRANS-13-TRANS-15-CIS-OCTADECATRIENOIC ACID

DrugBank:

DB04747

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).