BioLiP

PDB

BioLiP

PDB CCD ID:

NER

Number of entries in BioLiP:

Chemical formula:

C24 H46 O2

InChI:

InChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h9-10H,2-8,11-23H2,1H3,(H,25,26)/b10-9-

InChIKey:

GWHCXVQVJPWHRF-KTKRTIGZSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CCCCCCCC\C=C/CCCCCCCCCCCCCC(O)=O
OpenEye OEToolkits 1.5.0	CCCCCCCCC=CCCCCCCCCCCCCCC(=O)O
OpenEye OEToolkits 1.5.0	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O
CACTVS 3.341	CCCCCCCCC=CCCCCCCCCCCCCCC(O)=O
ACDLabs 10.04	O=C(O)CCCCCCCCCCCCC\C=C/CCCCCCCC

Name:

(15E)-TETRACOS-15-ENOIC ACID;
CIS-15-TETRACOSENOIC ACID

ChEMBL:

CHEMBL1173379

ZINC:

ZINC000006920440

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).