| Record Information |
|---|
| Version | 1.0 |
|---|
| Creation Date | 2018-07-17 17:49:49 UTC |
|---|
| Update Date | 2020-03-13 17:36:52 UTC |
|---|
| BMDB ID | BMDB0062563 |
|---|
| Secondary Accession Numbers | |
|---|
| Metabolite Identification |
|---|
| Common Name | Leu-Arg-Leu-Ile |
|---|
| Description | Leu-arg-leu-ile 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. Leu-arg-leu-ile is possibly soluble (in water) and a very strong basic compound (based on its pKa). |
|---|
| Structure | |
|---|
| Synonyms | | Value | Source |
|---|
| 2-{[2-({2-[(2-amino-1-hydroxy-4-methylpentylidene)amino]-5-carbamimidamido-1-hydroxypentylidene}amino)-1-hydroxy-4-methylpentylidene]amino}-3-methylpentanoate | Generator |
|
|---|
| Chemical Formula | C24H47N7O5 |
|---|
| Average Molecular Weight | 513.684 |
|---|
| Monoisotopic Molecular Weight | 513.363867641 |
|---|
| IUPAC Name | 2-{[2-({2-[(2-amino-1-hydroxy-4-methylpentylidene)amino]-5-carbamimidamido-1-hydroxypentylidene}amino)-1-hydroxy-4-methylpentylidene]amino}-3-methylpentanoic acid |
|---|
| Traditional Name | 2-{[2-({2-[(2-amino-1-hydroxy-4-methylpentylidene)amino]-5-carbamimidamido-1-hydroxypentylidene}amino)-1-hydroxy-4-methylpentylidene]amino}-3-methylpentanoic acid |
|---|
| CAS Registry Number | Not Available |
|---|
| SMILES | CCC(C)C(N=C(O)C(CC(C)C)N=C(O)C(CCCNC(N)=N)N=C(O)C(N)CC(C)C)C(O)=O |
|---|
| InChI Identifier | InChI=1S/C24H47N7O5/c1-7-15(6)19(23(35)36)31-22(34)18(12-14(4)5)30-21(33)17(9-8-10-28-24(26)27)29-20(32)16(25)11-13(2)3/h13-19H,7-12,25H2,1-6H3,(H,29,32)(H,30,33)(H,31,34)(H,35,36)(H4,26,27,28) |
|---|
| InChI Key | UEEBGIUHABTYMD-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| 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. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Organic acids and derivatives |
|---|
| Class | Carboxylic acids and derivatives |
|---|
| Sub Class | Amino acids, peptides, and analogues |
|---|
| Direct Parent | Oligopeptides |
|---|
| Alternative Parents | |
|---|
| Substituents | - Alpha-oligopeptide
- Isoleucine or derivatives
- Leucine or derivatives
- N-acyl-alpha amino acid or derivatives
- N-acyl-alpha-amino acid
- Alpha-amino acid amide
- N-substituted-alpha-amino acid
- Alpha-amino acid or derivatives
- Branched fatty acid
- Methyl-branched fatty acid
- Fatty acyl
- Fatty acid
- N-acyl-amine
- Fatty amide
- Amino acid
- Guanidine
- Secondary carboxylic acid amide
- Carboxamide group
- Amino acid or derivatives
- Carboxylic acid
- Carboximidamide
- Propargyl-type 1,3-dipolar organic compound
- Monocarboxylic acid or derivatives
- Organic 1,3-dipolar compound
- Organic nitrogen compound
- Primary aliphatic amine
- Organonitrogen compound
- Organooxygen compound
- Primary amine
- Carbonyl group
- Hydrocarbon derivative
- Organic oxide
- Amine
- Organopnictogen compound
- Organic oxygen compound
- Aliphatic acyclic compound
|
|---|
| Molecular Framework | Aliphatic acyclic compounds |
|---|
| External Descriptors | Not Available |
|---|
| Ontology |
|---|
| Status | Detected but not Quantified |
|---|
| Origin | Not Available |
|---|
| Biofunction | Not Available |
|---|
| Application | Not Available |
|---|
| Cellular locations | Not Available |
|---|
| Physical Properties |
|---|
| State | Not Available |
|---|
| Experimental Properties | | Property | Value | Reference |
|---|
| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
|
|---|
| Predicted Properties | |
|---|
| Spectra |
|---|
| Spectra | |
|---|
