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BioLiP Library

PDB CCD ID: B9M
Number of entries in BioLiP: 1
Chemical formula: C16 H28 O
InChI: InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h6-7,17H,2-3,8-16H2,1H3/b7-6+
InChIKey: CVGZIQCJXLSQQU-VOTSOKGWSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352
OpenEye OEToolkits 1.6.1		CCCC#CC=CCCCCCCCCCO
CACTVS 3.352
OpenEye OEToolkits 1.6.1		CCCC#C\C=C\CCCCCCCCCO
ACDLabs 10.04C(#C\C=C\CCCCCCCCCO)CCC
Name:(10E)-hexadec-10-en-12-yn-1-ol
ZINC: ZINC000058649629
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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