BioLiP

PDB

BioLiP

PDB CCD ID:

3IV

Number of entries in BioLiP:

Chemical formula:

C16 H30 O2

InChI:

InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h5-6H,2-4,7-15H2,1H3,(H,17,18)/b6-5+

InChIKey:

JGMYDQCXGIMHLL-AATRIKPKSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCC/C=C/CCCCCCCCCC(=O)O
CACTVS 3.385	CCCC/C=C/CCCCCCCCCC(O)=O
CACTVS 3.385	CCCCC=CCCCCCCCCCC(O)=O
ACDLabs 12.01	O=C(O)CCCCCCCCC\C=C\CCCC
OpenEye OEToolkits 2.0.7	CCCCC=CCCCCCCCCCC(=O)O

Name:

(11E)-hexadec-11-enoic acid

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).