BioLiP

PDB

BioLiP

PDB CCD ID:

BMJ

Number of entries in BioLiP:

Chemical formula:

C15 H30 O2

InChI:

InChI=1S/C15H30O2/c1-3-14(2)12-10-8-6-4-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)/t14-/m1/s1

InChIKey:

XKLJLHAPJBUBNL-CQSZACIVSA-N

SMILES:

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

Name:

(12R)-12-methyltetradecanoic acid

ZINC:

ZINC000002037243

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).