Biotin
336
Reference
Biotin Structure
Systematic / IUPAC Name: 5-(2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid
ID: Reference336
Other Names:
δ-(+)-Biotin;
δ-Biotin;
(+)-Biotin;
3H-Biotin;
Biodermatin
; more
Formula: C10H16N2O3S
Class: Endogenous Metabolites
Spectral Data
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 | LTQ Orbitrap XL; Orbitrap Elite; Q Exactive Orbitrap |
| No. of Spectral Trees | 9 |
| No. of Spectra | 5490 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | ESI; APCI; NSI |
| Analyzers | IT; FT |
| Last Modification | 10/11/2016 8:41:32 AM |
Identificators
| InChI | InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1 |
| InChI Key | YBJHBAHKTGYVGT-ZKWXMUAHSA-N |
| Canonical SMILES | C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2 |
| CAS | 58855 |
| Splash | |
| Other Names |
δ-(+)-Biotin; δ-Biotin; (+)-Biotin; 3H-Biotin; Biodermatin; Bioepiderm; Biotina; Biotine; Coenzyme R; D-(+)-Biotin; Factor S; Injacom H; Lutavit H2; Meribin; Rovimix H2; Vitamin B7; Vitamin H; (+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valeric acid; 1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo, (3aS,4S,6aR)-; 5-[(4S)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid ; 5-[(3aS,4S,6aR)-2-Oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]pentanoic acid |