| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:50:27 UTC |
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| Update Date | 2020-04-22 15:09:33 UTC |
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| BMDB ID | BMDB0002053 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Histidylproline diketopiperazine |
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| Description | Histidylproline diketopiperazine, also known as his-pro-DKP or cyclo(his-pro), belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. Based on a literature review very few articles have been published on Histidylproline diketopiperazine. |
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| Structure | |
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| Synonyms | | Value | Source |
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| His-pro-DKP | MeSH | | Cyclo(his-pro) | MeSH | | Cyclo(histidyl-prolyl) | MeSH | | Histidyl-proline diketopiperazine | MeSH | | Histidyl-proline diketopiperazine, (3R-cis)-isomer | MeSH | | Histidyl-proline diketopiperazine, (3S-cis)-isomer | MeSH | | Histidyl-proline diketopiperazine, (3S-trans)-isomer | MeSH | | Histidyl-proline-diketopiperazine | MeSH |
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| Chemical Formula | C12H16N4O2 |
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| Average Molecular Weight | 248.281 |
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| Monoisotopic Molecular Weight | 248.127325776 |
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| IUPAC Name | (3S,9aS)-3-(1H-imidazol-5-ylmethyl)-octahydro-1H-pyrido[1,2-a]piperazine-1,4-dione |
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| Traditional Name | (3S,9aS)-3-(3H-imidazol-4-ylmethyl)-hexahydro-2H-pyrido[1,2-a]piperazine-1,4-dione |
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| CAS Registry Number | 53109-32-3 |
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| SMILES | [H][C@@]12CCCCN1C(=O)[C@H](CC1=CN=CN1)NC2=O |
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| InChI Identifier | InChI=1S/C12H16N4O2/c17-11-10-3-1-2-4-16(10)12(18)9(15-11)5-8-6-13-7-14-8/h6-7,9-10H,1-5H2,(H,13,14)(H,15,17)/t9-,10-/m0/s1 |
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| InChI Key | LCXWQHWWTPOAFI-UWVGGRQHSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. |
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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 | Alpha amino acids and derivatives |
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| Alternative Parents | |
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| Substituents | - Alpha-amino acid or derivatives
- Piperidine
- Azole
- Imidazole
- Tertiary carboxylic acid amide
- Cyclic carboximidic acid
- Heteroaromatic compound
- Lactam
- Carboxamide group
- Organoheterocyclic compound
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Azacycle
- Carbonyl group
- Organic nitrogen compound
- Organic oxygen compound
- Organooxygen compound
- Organonitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic 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 | Not Available |
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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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