Oleic acid-biotin
6674
Reference
Oleic acid-biotin Structure
Systematic / IUPAC Name: (9Z)-N-[5-({5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)pentyl]-9-octadecenamide
ID: Reference6674
Other Names: 1H-Thieno[3,4-d]imidazole-4-pentanamide, hexahydro-2-oxo-N-(5-{[(9Z)-1-oxo-9-octadecen-1-yl]amino}pentyl), (3aS,4S,6aR)-
Formula: C28H50N4O3S
Spectral Data
Oleic acid-biotin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 4 |
| No. of Spectra | 8435 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 8/1/2017 12:08:38 PM |
Identificators
| InChI | InChI=1S/C33H60N4O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-23-30(38)34-25-20-16-21-26-35-31(39)24-19-18-22-29-32-28(27-41-29)36-33(40)37-32/h9-10,28-29,32H,2-8,11-27H2,1H3,(H,34,38)(H,35,39)(H2,36,37,40)/b10-9-/t28-,29-,32-/m0/s1 |
| InChI Key | BXXNXBAVXQJVER-IJPAJFNPSA-N |
| Canonical SMILES | CCCCCCCCC=CCCCCCCCC(=O)NCCCCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2 |
| CAS | |
| Splash | |
| Other Names | 1H-Thieno[3,4-d]imidazole-4-pentanamide, hexahydro-2-oxo-N-(5-{[(9Z)-1-oxo-9-octadecen-1-yl]amino}pentyl), (3aS,4S,6aR)- |