THT
Summary
| Name: | TRANS-2-HEXADECENOYL-(N-ACETYL-CYSTEAMINE)-THIOESTER |
| Synonyms: | C16-FATTY-ACYL-SUBSTRATE-MIMIC |
| Formula: | C20 H39 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 357.594 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | S-[2-(acetylamino)ethyl] hexadecanethioate |
| OpenEye OEToolkits | 1.5.0 | S-(2-acetamidoethyl) hexadecanethioate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(SCCNC(=O)C)CCCCCCCCCCCCCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCCCCCCCCCC(=O)SCCNC(C)=O |
| SMILES | CACTVS | 3.341 | CCCCCCCCCCCCCCCC(=O)SCCNC(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCCCCCC(=O)SCCNC(=O)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCCCCCC(=O)SCCNC(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C20H39NO2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)24-18-17-21-19(2)22/h3-18H2,1-2H3,(H,21,22) |
| InChIKey | InChI | 1.03 | GDVZALUOXPTSHD-UHFFFAOYSA-N |
