BioLiP

PDB

BioLiP

PDB CCD ID:

FTT

Number of entries in BioLiP:

Chemical formula:

C14 H28 O3

InChI:

InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)/t13-/m1/s1

InChIKey:

ATRNZOYKSNPPBF-CYBMUJFWSA-N

SMILES:

Software	SMILES
CACTVS 3.370	CCCCCCCCCCC[C@@H](O)CC(O)=O
CACTVS 3.370	CCCCCCCCCCC[CH](O)CC(O)=O
OpenEye OEToolkits 1.7.6	CCCCCCCCCCCC(CC(=O)O)O
OpenEye OEToolkits 1.7.6	CCCCCCCCCCC[C@H](CC(=O)O)O
ACDLabs 12.01	O=C(O)CC(O)CCCCCCCCCCC

Name:

3-HYDROXY-TETRADECANOIC ACID;
3-HYDROXY-MYRISTIC ACID

ChEMBL:

CHEMBL1232858

DrugBank:

DB02767

ZINC:

ZINC000002039069

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).