BioLiP

PDB

BioLiP

PDB CCD ID:

ODD

Number of entries in BioLiP:

Chemical formula:

C18 H32 O2

InChI:

InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-9H,2-5,10-17H2,1H3,(H,19,20)/b7-6-,9-8+

InChIKey:

GKJZMAHZJGSBKD-NMMTYZSQSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCCCCC=CC=CCCCCCCCCC(=O)O
OpenEye OEToolkits 1.5.0	CCCCC\C=C/C=C/CCCCCCCCC(=O)O
CACTVS 3.341	CCCCC\C=C/C=C/CCCCCCCCC(O)=O
CACTVS 3.341	CCCCCC=CC=CCCCCCCCCC(O)=O
ACDLabs 10.04	O=C(O)CCCCCCCC\C=C\C=C/CCCCC

Name:

(10E,12Z)-OCTADECA-10,12-DIENOIC ACID;
10-TRANS-12-CIS-OCTADECADIENOIC ACID

ChEMBL:

CHEMBL1093743

DrugBank:

DB04746

ZINC:

ZINC000012504490

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).