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BioLiP

PDB CCD ID: ASY
Number of entries in BioLiP: 3
Chemical formula: C18 H32 O3
InChI: InChI=1S/C18H32O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h8,11H,2-7,9-10,12-16H2,1H3,(H,20,21)/b11-8+
InChIKey: IEQLMTRAAYQDSD-DHZHZOJOSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCCCCC=CCC(=O)CCCCCCCCC(O)=O
CACTVS 3.341CCCCC\C=C\CC(=O)CCCCCCCCC(O)=O
ACDLabs 10.04O=C(C/C=C/CCCCC)CCCCCCCCC(=O)O
OpenEye OEToolkits 1.5.0CCCCC\C=C\CC(=O)CCCCCCCCC(=O)O
OpenEye OEToolkits 1.5.0CCCCCC=CCC(=O)CCCCCCCCC(=O)O
Name:(12E)-10-oxooctadec-12-enoic acid
ZINC: ZINC000101424794
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).
  • 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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