BioLiP

PDB

BioLiP

PDB CCD ID:

JAO

Number of entries in BioLiP:

Chemical formula:

C18 H38 O

InChI:

InChI=1S/C18H38O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(2)17-19/h18-19H,3-17H2,1-2H3/t18-/m0/s1

InChIKey:

DMNPDGLMNXDSPT-SFHVURJKSA-N

SMILES:

Software	SMILES
CACTVS 3.370 OpenEye OEToolkits 1.7.6	CCCCCCCCCCCCCCC[C@H](C)CO
CACTVS 3.370	CCCCCCCCCCCCCCC[CH](C)CO
OpenEye OEToolkits 1.7.6	CCCCCCCCCCCCCCCC(C)CO
ACDLabs 12.01	OCC(CCCCCCCCCCCCCCC)C

Name:

(2S)-2-methylheptadecan-1-ol

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).