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BioLiP

PDB CCD ID: EAH
Number of entries in BioLiP: 5
Chemical formula: C20 H32 O3
InChI: InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-14,19,21H,2-5,8,15-18H2,1H3,(H,22,23)/b7-6-,10-9-,12-11+,14-13+/t19-/m1/s1
InChIKey: DVGDBDLZYCUGNU-LBIUVHPXSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCCCC\C=C/C/C=C\C=C\C=C\C[C@@H](O)CCCC(O)=O
ACDLabs 10.04O=C(O)CCCC(O)C/C=C/C=C/C=C\C\C=C/CCCCC
CACTVS 3.341CCCCCC=CCC=CC=CC=CC[CH](O)CCCC(O)=O
OpenEye OEToolkits 1.5.0CCCCCC=CCC=CC=CC=CCC(CCCC(=O)O)O
OpenEye OEToolkits 1.5.0CCCCC\C=C/C\C=C/C=C/C=CC[C@H](CCCC(=O)O)O
Name:(5S,7E,9E,11Z,14Z)-5-hydroxyicosa-7,9,11,14-tetraenoic acid
ZINC: ZINC000064474589
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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