LTB
Summary
Name: | LEUKOTRIENE B4 |
Formula: | C20 H32 O4 |
Formal charge: | 0 |
Formula weight: | 336.466 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid |
OpenEye OEToolkits | 1.7.2 | (5S,6Z,8E,10E,12R,14Z)-5,12-bis(oxidanyl)icosa-6,8,10,14-tetraenoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)CCCC(O)\C=C/C=C/C=C/C(O)C\C=C/CCCCC |
InChI | InChI | 1.03 | 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 | InChI | 1.03 | VNYSSYRCGWBHLG-AMOLWHMGSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O |
SMILES | CACTVS | 3.370 | CCCCCC=CC[CH](O)C=CC=CC=C[CH](O)CCCC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O |
SMILES | OpenEye OEToolkits | 1.7.2 | CCCCCC=CCC(C=CC=CC=CC(CCCC(=O)O)O)O |