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BioLiP Library

PDB CCD ID: B8M
Number of entries in BioLiP: 1
Chemical formula: C16 H30 O
InChI: InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h6-9,17H,2-5,10-16H2,1H3/b7-6-,9-8+
InChIKey: IUVFLMAKSXSTQK-NMMTYZSQSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352
OpenEye OEToolkits 1.6.1		CCCCC\C=C/C=C/CCCCCCCO
CACTVS 3.352
OpenEye OEToolkits 1.6.1		CCCCCC=CC=CCCCCCCCO
ACDLabs 10.04OCCCCCCC/C=C/C=C\CCCCC
Name:(8E,10Z)-HEXADECA-8,10-DIEN-1-OL
ZINC: ZINC000058632247
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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