4HD
Summary
Name: | (4S,5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid |
Formula: | C22 H32 O3 |
Formal charge: | 0 |
Formula weight: | 344.488 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | (4S,5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid |
OpenEye OEToolkits | 1.5.0 | (4S,5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)CCC(O)\C=C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC |
SMILES_CANONICAL | CACTVS | 3.341 | CC\C=C/C/C=C\C\C=C/C/C=C\C\C=C/C=C/[C@@H](O)CCC(O)=O |
SMILES | CACTVS | 3.341 | CCC=CCC=CCC=CCC=CCC=CC=C[CH](O)CCC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C=C/[C@H](CCC(=O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CCC=CCC=CCC=CCC=CCC=CC=CC(CCC(=O)O)O |
InChI | InChI | 1.03 | InChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)19-20-22(24)25/h3-4,6-7,9-10,12-13,15-18,21,23H,2,5,8,11,14,19-20H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,13-12-,16-15-,18-17+/t21-/m1/s1 |
InChIKey | InChI | 1.03 | IFRKCNPQVIJFAQ-HBUOOPIGSA-N |