BioLiP

PDB

BioLiP

PDB CCD ID:

HXD

Number of entries in BioLiP:

Chemical formula:

C12 H24 O3

InChI:

InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)/t11-/m1/s1

InChIKey:

MUCMKTPAZLSKTL-LLVKDONJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCCCCCCCCC(CC(=O)O)O
CACTVS 3.341	CCCCCCCCC[CH](O)CC(O)=O
OpenEye OEToolkits 1.5.0	CCCCCCCCC[C@H](CC(=O)O)O
ACDLabs 10.04	O=C(O)CC(O)CCCCCCCCC
CACTVS 3.341	CCCCCCCCC[C@@H](O)CC(O)=O

Name:

(3R)-3-HYDROXYDODECANOIC ACID;
3-OH-DODECANOATE

ChEMBL:

CHEMBL1233457

DrugBank:

DB07930

ZINC:

ZINC000016051927

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).