| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:18:15 UTC |
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| Update Date | 2020-04-22 15:16:14 UTC |
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| BMDB ID | BMDB0005771 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Rigin |
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| Description | Rigin, also known as gly-GLN-pro-arg, 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. Based on a literature review very few articles have been published on Rigin. |
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| Structure | |
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| Synonyms | | Value | Source |
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| Gly-GLN-pro-arg | MeSH | | Glycyl-L-glutaminyl-L-prolyl-L-arginine | MeSH | | (2S)-2-({[(2S)-1-[(2S)-2-[(2-amino-1-hydroxyethylidene)amino]-4-(C-hydroxycarbonimidoyl)butanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-5-carbamimidamidopentanoate | Generator, HMDB | | Rigin | MeSH |
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| Chemical Formula | C18H32N8O6 |
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| Average Molecular Weight | 456.4967 |
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| Monoisotopic Molecular Weight | 456.244480796 |
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| IUPAC Name | (2S)-2-{[(2S)-1-[(2S)-2-(2-aminoacetamido)-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanoic acid |
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| Traditional Name | (2S)-2-{[(2S)-1-[(2S)-2-(2-aminoacetamido)-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanoic acid |
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| CAS Registry Number | 77727-17-4 |
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| SMILES | NCC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |
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| InChI Identifier | InChI=1S/C18H32N8O6/c19-9-14(28)24-10(5-6-13(20)27)16(30)26-8-2-4-12(26)15(29)25-11(17(31)32)3-1-7-23-18(21)22/h10-12H,1-9,19H2,(H2,20,27)(H,24,28)(H,25,29)(H,31,32)(H4,21,22,23)/t10-,11-,12-/m0/s1 |
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| InChI Key | UEJYSALTSUZXFV-SRVKXCTJSA-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
- N-acyl-alpha-amino acid
- N-acyl-alpha amino acid or derivatives
- Proline or derivatives
- N-acyl-l-alpha-amino acid
- Alpha-amino acid amide
- Alpha-amino acid or derivatives
- N-acylpyrrolidine
- Pyrrolidine carboxylic acid or derivatives
- Pyrrolidine-2-carboxamide
- Heterocyclic fatty acid
- Fatty acid
- Fatty acyl
- Fatty amide
- Pyrrolidine
- Tertiary carboxylic acid amide
- Amino acid or derivatives
- Carboxamide group
- Guanidine
- Amino acid
- Primary carboxylic acid amide
- Secondary carboxylic acid amide
- Carboximidamide
- Propargyl-type 1,3-dipolar organic compound
- Azacycle
- Organoheterocyclic compound
- Carboxylic acid
- Organic 1,3-dipolar compound
- Monocarboxylic acid or derivatives
- Primary amine
- Primary aliphatic amine
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Organic nitrogen compound
- Amine
- Hydrocarbon derivative
- Organonitrogen compound
- Organooxygen compound
- Carbonyl group
- Aliphatic heteromonocyclic compound
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| Molecular Framework | Aliphatic heteromonocyclic 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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