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LTB

Summary
Name:LEUKOTRIENE B4
Formula:C20 H32 O4
Formal charge:0
Formula weight:336.466 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid
OpenEye OEToolkits1.7.2(5S,6Z,8E,10E,12R,14Z)-5,12-bis(oxidanyl)icosa-6,8,10,14-tetraenoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)CCCC(O)\C=C/C=C/C=C/C(O)C\C=C/CCCCC
InChIInChI1.03InChI=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
InChIKeyInChI1.03VNYSSYRCGWBHLG-AMOLWHMGSA-N
SMILES_CANONICALCACTVS3.370CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O
SMILESCACTVS3.370CCCCCC=CC[CH](O)C=CC=CC=C[CH](O)CCCC(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.2CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O
SMILESOpenEye OEToolkits1.7.2CCCCCC=CCC(C=CC=CC=CC(CCCC(=O)O)O)O

217705

PDB entries from 2024-03-27

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