SEQ2FUN

BioLiP

PDB CCD ID: A1BYH
Number of entries in BioLiP: 1
Chemical formula: C18 H28 O2
InChI: InChI=1S/C18H28O2/c19-16-12-7-5-3-1-2-4-6-8-13-17-20-18-14-10-9-11-15-18/h7,9-12,14-15,19H,1-6,8,13,16-17H2
InChIKey: FYHKQZDCHQMJGE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1ccc(cc1)OCCCCCCCCCC=CCO
CACTVS 3.385OCC=CCCCCCCCCCOc1ccccc1
ACDLabs 14.52
CACTVS 3.385		OC\C=C\CCCCCCCCCOc1ccccc1
OpenEye OEToolkits 3.1.0.0c1ccc(cc1)OCCCCCCCCC/C=C/CO
Name:(2E)-12-phenoxydodec-2-en-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).