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(+)-Biotin

View entire compound with spectra: 4 NMR, 4 FTIR, 1 Raman, and 2 MS (GC)

(+)-Biotin
SpectraBase Compound ID 98lzeau98BC
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
InChIKey YBJHBAHKTGYVGT-ZKWXMUAHSA-N
Mol Weight 244.31 g/mol
Molecular Formula C10H16N2O3S
Exact Mass 244.088164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dp7bjgzl2gA
Name 1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, [3as-(3a.alpha.,4.beta.,6a.alpha.)]-
CAS Registry Number 58-85-5
Classification Biotin and derivatives
Comments Generally Recognized as Safe; NTIS Accession Number: PB281421
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 244.088163554 u
Formula C10H16N2O3S
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
InChIKey YBJHBAHKTGYVGT-ZKWXMUAHSA-N
Molecular Weight 244.309 g/mol
Number of Peaks 9
SMILES N1[C@@]2([C@](CCCCC(=O)O)(SC[C@@]2(NC1=O)[H])[H])[H]
SPLASH splash10-000b-9210000000-5e867c55886a4f160ffc
Source of Spectrum KD-14-3671-1
Synonyms Biotin 5-(2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid (+)-Biotin (+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valeric acid (3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-valeric acid (3aS-(3aalpha,4b,6aalpha))-hexahydro-2-oxo-1H-thieno(3,4-d)imidaz- ole-4-pentanoic acid 1H-thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, (3aS-(3aalpha,4b,6aalpha))- 1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, (3aS,4S,6aR)- 1H-thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, [3aS-(3aalpha,4beta,6aalpha)]- 2'-keto-3,4-imidazolido-2-tetrahydrothiophene-N-valeric acid 5-(2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl)valeric acid 5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoic acid 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoic acid 5-(2-oxo-hexahydro-thieno[3,4-d]imidazol-4-yl)-pentanoic acid 5-(2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoic acid Biodermatin Bioepiderm Bios II Biotina Biotine Biotinum cis-(+)-Tetrahydro-2-oxothieno[3,4]imidazoline-4-valeric acid cis-hexahydro-2-oxo-1H-thieno(3,4)imidazole-4-valeric acid cis-tetrahydro-2-oxothieno(3,4-d)imidazoline-4-valeric acid Coenzyme R component of Deca-Vi-Sol D-(+)-Biotin d-Biotin D-biotin factor S Factor s Factor S (vitamin) Hexahydro-2-oxo-1H-thieno(3,4-d)imidazole-4-pentanoic acid Hexahydro-2-oxo-1H-thieno(3,4-d)imidazole-4-pentanoic acid, (3aS-(3aalpha,4beta,6aalpha))- Injacom H Lutavit H2 Meribin Rovimix H 2 Vitamin b7 Vitamin h 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid 5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid AI3-51198 CCRIS 3932 EINECS 200-399-3 HSDB 346 NSC 63865
Wiley ID 1636568