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BioLiP Library

PDB CCD ID: 7MS
Number of entries in BioLiP: 4
Chemical formula: C20 H32 O4
InChI: InChI=1S/C20H32O4/c1-2-18(21)19(22)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(23)24/h3,5-6,8-9,11-12,14,18-19,21-22H,2,4,7,10,13,15-17H2,1H3,(H,23,24)/b5-3-,8-6-,11-9-,14-12-/t18-,19-/m1/s1
InChIKey: XYDVGNAQQFWZEF-VXNZHGHESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC[C@H]([C@@H](C/C=C\C/C=C\CC=CC/C=C\CCCC(=O)O)O)O
CACTVS 3.385CC[C@@H](O)[C@H](O)C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O
CACTVS 3.385CC[CH](O)[CH](O)CC=CCC=CCC=CCC=CCCCC(O)=O
ACDLabs 12.01CCC(O)C(O)C[C@H]=CC[C@H]=[C@H]C[C@H]=[C@H]C/C=C\CCCC(O)=O
OpenEye OEToolkits 2.0.6CCC(C(CC=CCC=CCC=CCC=CCCCC(=O)O)O)O
Name:(5Z,8Z,11Z,14Z,17R,18R)-17,18-dihydroxyicosa-5,8,11,14-tetraenoic acid
ZINC: ZINC000027645264
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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