HXA
Summary
| Name: | DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID |
| Formula: | C22 H32 O2 |
| Formal charge: | 0 |
| Formula weight: | 328.488 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid |
| OpenEye OEToolkits | 1.5.0 | (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CC\C=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/CCC(O)=O |
| SMILES | CACTVS | 3.341 | CCC=CCC=CCC=CCC=CCC=CCC=CCCC(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/CCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18- |
| InChIKey | InChI | 1.03 | MBMBGCFOFBJSGT-KUBAVDMBSA-N |
