BioLiP

PDB

BioLiP

PDB CCD ID:

VGJ

Number of entries in BioLiP:

Chemical formula:

C20 H40 O2

InChI:

InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)/t17-,18-,19+/m0/s1

InChIKey:

RLCKHJSFHOZMDR-GBESFXJTSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(O)CC(CCCC(C)CCCC(C)CCCC(C)C)C
CACTVS 3.352	CC(C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CC(O)=O
OpenEye OEToolkits 1.6.1	CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)O
CACTVS 3.352	CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CC(O)=O
OpenEye OEToolkits 1.6.1	CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CC(=O)O

Name:

(3R,7S,11S)-3,7,11,15-tetramethylhexadecanoic acid

ZINC:

ZINC000004095679

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).