BioLiP

PDB

BioLiP

PDB CCD ID:

28U

Number of entries in BioLiP:

Chemical formula:

C15 H26 O

InChI:

InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+/t15-/m0/s1

InChIKey:

FQTLCLSUCSAZDY-GOFCXVBSSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)=CCCC(C)=CCC[C](C)(O)C=C
OpenEye OEToolkits 1.7.6	CC(=CCCC(=CCCC(C)(C=C)O)C)C
OpenEye OEToolkits 1.7.6	CC(=CCCC(=CCC[C@](C)(C=C)O)C)C
ACDLabs 12.01	OC(/C=C)(CC/C=C(/CC/C=C(\C)C)C)C
CACTVS 3.385	CC(C)=CCCC(/C)=C/CC[C@@](C)(O)C=C

Name:

(3R,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol;
trans-Nerolidol

ZINC:

ZINC000002040970

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).