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BioLiP Library

PDB CCD ID: 8Z9
Number of entries in BioLiP: 31
Chemical formula: C16 H30 O2
InChI: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h10-11H,2-9,12-15H2,1H3,(H,17,18)/b11-10-
InChIKey: NNNVXFKZMRGJPM-KHPPLWFESA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)CCCC\C=C/CCCCCCCCC
OpenEye OEToolkits 2.0.7CCCCCCCCCC=CCCCCC(=O)O
CACTVS 3.385CCCCCCCCC\C=C/CCCCC(O)=O
CACTVS 3.385CCCCCCCCCC=CCCCCC(O)=O
OpenEye OEToolkits 2.0.7CCCCCCCCC/C=C\CCCCC(=O)O
Name:Sapienic acid
ZINC: ZINC000085617707
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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