BioLiP

PDB

BioLiP

PDB CCD ID:

LM8

Number of entries in BioLiP:

Chemical formula:

C21 H34 O2

InChI:

InChI=1S/C21H34O2/c1-3-4-5-11-14-17-20(2)18-15-12-9-7-6-8-10-13-16-19-21(22)23/h7-10,14-15,17-18,20H,3-6,11-13,16,19H2,1-2H3,(H,22,23)/b9-7-,10-8-,17-14-,18-15-/t20-/m0/s1

InChIKey:

PIZRMBAQQYSBSA-URRNNGNDSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CCCCC/C=C\[C@H](C)/C=C\C/C=C\C/C=C\CCCC(=O)O
CACTVS 3.385	CCCCCC=C[CH](C)C=CCC=CCC=CCCCC(O)=O
OpenEye OEToolkits 1.7.6	CCCCCC=CC(C)C=CCC=CCC=CCCCC(=O)O
CACTVS 3.385	CCCCC\C=C/[C@H](C)/C=C\C\C=C/C\C=C/CCCC(O)=O
ACDLabs 12.01	O=C(O)CCC\C=C/C\C=C/C\C=C/C(\C=C/CCCCC)C

Name:

(5Z,8Z,11Z,13S,14Z)-13-methylicosa-5,8,11,14-tetraenoic acid;
(5Z,8Z,11Z,14Z)-13S-methyl-5,8,11,14-eicosatetraenoic acid

ZINC:

ZINC000215992109

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).