| Record Information |
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| Version | 1.0 |
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| Creation Date | 2020-02-10 19:47:47 UTC |
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| Update Date | 2020-06-04 23:02:10 UTC |
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| BMDB ID | BMDB0063723 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 4-methoxyestrone |
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| Description | Thyrotropin releasing hormone, also known as TRH or protirelin, belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Thyrotropin releasing hormone is a very strong basic compound (based on its pKa). |
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| Structure | |
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| Synonyms | | Value | Source |
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| L-Pyroglutamyl-L-histidyl-L-prolineamide | ChEBI | | Thyroliberin | ChEBI | | Thyrotropic releasing hormone | ChEBI | | Thyrotropic-releasing factor | ChEBI | | Thyrotropin-releasing factor | ChEBI | | TRH | ChEBI | | TSH-Releasing factor | ChEBI | | TSH-Releasing hormone | ChEBI | | Protirelin | Kegg | | Relefact TRH | Kegg | | Abbott brand OF protirelin | HMDB | | Abbott-38579 | HMDB | | Antepan | HMDB | | Aventis brand OF protirelin | HMDB | | Novartis brand OF protirelin | HMDB | | Proterelin tartrate | HMDB | | Proterelin tartrate hydrate | HMDB | | Protirelin abbott brand | HMDB | | Protirelin aventis brand | HMDB | | Stimu TSH | HMDB | | Tartrate hydrate, proterelin | HMDB | | Thypinone | HMDB | | Abbott 38579 | HMDB | | Protirelin tartrate (1:1) | HMDB | | TRH Ferring | HMDB | | TRH Prem | HMDB | | Thyrotropin-releasing hormone | HMDB | | Thyrotropin-releasing hormone tartrate | HMDB | | Abbott38579 | HMDB | | Ferring brand OF protirelin | HMDB | | Henning berlin brand OF protirelin | HMDB | | Hydrate, proterelin tartrate | HMDB | | Merck brand OF protirelin | HMDB | | Prem, TRH | HMDB | | Protirelin ferring brand | HMDB | | Protirelin merck brand | HMDB | | Stimu-TSH | HMDB | | Thyroliberin TRH merck | HMDB | | Thyrotropin releasing factor | HMDB | | Protirelin novartis brand | HMDB | | StimuTSH | HMDB | | TRH, Relefact | HMDB | | Thyrotropin releasing hormone tartrate | HMDB |
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| Chemical Formula | C19H24O3 |
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| Average Molecular Weight | 300.3921 |
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| Monoisotopic Molecular Weight | 300.172544634 |
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| IUPAC Name | (1S,10R,11S,15R)-5-hydroxy-6-methoxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-14-one |
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| Traditional Name | (1S,10R,11S,15R)-5-hydroxy-6-methoxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-14-one |
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| CAS Registry Number | Not Available |
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| SMILES | COC1=C(O)C=CC2=C1CC[C@H]1[C@@H]3CCC(=O)[C@]3(C)CC[C@H]21 |
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| InChI Identifier | InChI=1S/C19H24O3/c1-19-10-9-12-11-5-7-16(20)18(22-2)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15,20H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,19-/m1/s1 |
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| InChI Key | PUEXVLNGOBYUEW-PITQQHRWSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. |
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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 | Oligopeptides |
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| Alternative Parents | |
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| Substituents | - Alpha-oligopeptide
- Histidine or derivatives
- N-acyl-alpha amino acid or derivatives
- Proline or derivatives
- Alpha-amino acid amide
- Alpha-amino acid or derivatives
- N-acylpyrrolidine
- Pyrrolidine carboxylic acid or derivatives
- Pyrrolidine-2-carboxamide
- Pyrrolidone
- 2-pyrrolidone
- Azole
- Imidazole
- Heteroaromatic compound
- Pyrrolidine
- Tertiary carboxylic acid amide
- Primary carboxylic acid amide
- Lactam
- Carboxamide group
- Secondary carboxylic acid amide
- Azacycle
- Organoheterocyclic compound
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Carbonyl group
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Status | Detected and Quantified |
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| Origin | Not Available |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | - Cell membrane
- Cytoplasm
- Membrane
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| Physical Properties |
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| State | Not Available |
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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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