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BioLiP

PDB CCD ID: LTB
Number of entries in BioLiP: 5
Chemical formula: C20 H32 O4
InChI: InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1
InChIKey: VNYSSYRCGWBHLG-AMOLWHMGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2CCCCCC=CCC(C=CC=CC=CC(CCCC(=O)O)O)O
OpenEye OEToolkits 1.7.2CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O
ACDLabs 12.01O=C(O)CCCC(O)\C=C/C=C/C=C/C(O)C\C=C/CCCCC
CACTVS 3.370CCCCCC=CC[CH](O)C=CC=CC=C[CH](O)CCCC(O)=O
CACTVS 3.370CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O
Name:LEUKOTRIENE B4
ChEMBL: CHEMBL65061
DrugBank: DB12961
ZINC: ZINC000004623738
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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