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BioLiP

PDB CCD ID: 66B
Number of entries in BioLiP: 2
Chemical formula: C24 H36 O3
InChI: InChI=1S/C24H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23(25)21-18-19-22-24(26)27/h3-4,6-7,9-10,12-13,16-17H,2,5,8,11,14-15,18-22H2,1H3,(H,26,27)/b4-3-,7-6-,10-9-,13-12-,17-16+
InChIKey: SOUDNDRWZSIFBW-IIFHDYRKSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC/C=C\C/C=C\C/C=C\C/C=C\CC/C=C/CC(=O)CCCCC(=O)O
ACDLabs 12.01O=C(O)CCCCC(=O)C[C@H]=[C@H]CC[C@H]=[C@H]C[C@H]=CC\C=C/C\C=C/CC
CACTVS 3.385CC\C=C/C/C=C\C\C=C/C\C=C/CC\C=C\CC(=O)CCCCC(O)=O
CACTVS 3.385CCC=CCC=CCC=CCC=CCCC=CCC(=O)CCCCC(O)=O
OpenEye OEToolkits 1.7.6CCC=CCC=CCC=CCC=CCCC=CCC(=O)CCCCC(=O)O
Name:(8E,12Z,15Z,18Z,21Z)-6-oxotetracosa-8,12,15,18,21-pentaenoic acid
ZINC: ZINC000263621051
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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