BioLiP

PDB

BioLiP

PDB CCD ID:

D0G

Number of entries in BioLiP:

Chemical formula:

C17 H34 O2

InChI:

InChI=1S/C17H34O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)/t16-/m0/s1

InChIKey:

FXUKWLSZZHVEJD-INIZCTEOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCC(C)CCCCCCCCCCCCC(=O)O
OpenEye OEToolkits 2.0.6	CC[C@H](C)CCCCCCCCCCCCC(=O)O
CACTVS 3.385	CC[C@H](C)CCCCCCCCCCCCC(O)=O
ACDLabs 12.01	C(CCCCCCCCCCC(C)CC)CC(O)=O
CACTVS 3.385	CC[CH](C)CCCCCCCCCCCCC(O)=O

Name:

(14S)-14-methylhexadecanoic acid

ZINC:

ZINC000004556937

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).