| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:10:43 UTC |
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| Update Date | 2020-04-22 15:14:11 UTC |
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| BMDB ID | BMDB0004821 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Bisnorbiotin |
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| Description | Bisnorbiotin belongs to the class of organic compounds known as delta amino acids and derivatives. Delta amino acids and derivatives are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom. Based on a literature review very few articles have been published on Bisnorbiotin. |
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| Structure | |
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| Synonyms | | Value | Source |
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| hexahydro-2-oxo-1H-thieno[3,4-D]Imidazole-4-propionic acid | HMDB | | [3AS-(3aa,4b,6aa)]-hexahydro-2-oxo-1H-thieno[3,4-D]imidazole-4-propanoate | HMDB | | [3AS-(3aa,4b,6aa)]-hexahydro-2-oxo-1H-thieno[3,4-D]imidazole-4-propanoic acid | HMDB | | D-Allobisnorbiotin | MeSH, HMDB |
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| Chemical Formula | C8H12N2O3S |
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| Average Molecular Weight | 216.257 |
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| Monoisotopic Molecular Weight | 216.05686295 |
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| IUPAC Name | 3-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]propanoic acid |
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| Traditional Name | 3-[(3aS,4S,6aR)-2-oxo-hexahydrothieno[3,4-d]imidazolidin-4-yl]propanoic acid |
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| CAS Registry Number | 16968-98-2 |
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| SMILES | [H][C@]12CS[C@@H](CCC(O)=O)[C@@]1([H])NC(=O)N2 |
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| InChI Identifier | InChI=1S/C8H12N2O3S/c11-6(12)2-1-5-7-4(3-14-5)9-8(13)10-7/h4-5,7H,1-3H2,(H,11,12)(H2,9,10,13)/t4-,5-,7-/m0/s1 |
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| InChI Key | QDFGCLSCEPNVQP-VPLCAKHXSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as delta amino acids and derivatives. Delta amino acids and derivatives are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Carboxylic acids and derivatives |
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| Sub Class | Amino acids, peptides, and analogues |
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| Direct Parent | Delta amino acids and derivatives |
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| Alternative Parents | |
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| Substituents | - Delta amino acid or derivatives
- Imidazolyl carboxylic acid derivative
- Thia fatty acid
- Fatty acyl
- 2-imidazoline
- Thiolane
- Isourea
- Azacycle
- Organoheterocyclic compound
- Dialkylthioether
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Carboximidamide
- Carboxylic acid
- Thioether
- Monocarboxylic acid or derivatives
- Hydrocarbon derivative
- Organonitrogen compound
- Organooxygen compound
- Organopnictogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Carbonyl group
- Organic oxide
- Aliphatic heteropolycyclic compound
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| Molecular Framework | Aliphatic heteropolycyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Status | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | |
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| Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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