| Record Information |
|---|
| Version | 2.0 |
|---|
| Created at | 2021-01-05 20:08:11 UTC |
|---|
| Updated at | 2021-07-15 17:06:51 UTC |
|---|
| NP-MRD ID | NP0010710 |
|---|
| Secondary Accession Numbers | None |
|---|
| Natural Product Identification |
|---|
| Common Name | Sarmentosamide |
|---|
| Provided By | NPAtlas |
|---|
| Description | (2Z,4E)-N-[(2S,3E)-4-(C-hydroxycarbonimidoyl)-4-methylbut-3-en-2-yl]hexa-2,4-dienimidic acid belongs to the class of organic compounds known as n-acyl amines. N-acyl amines are compounds containing a fatty acid moiety linked to an amine group through an ester linkage. Sarmentosamide is found in Streptomyces sp. SBI108. Sarmentosamide was first documented in 2013 (PMID: 22455790). Based on a literature review very few articles have been published on (2Z,4E)-N-[(2S,3E)-4-(C-hydroxycarbonimidoyl)-4-methylbut-3-en-2-yl]hexa-2,4-dienimidic acid. |
|---|
| Structure | [H]N([H])C(=O)C(=C(/[H])[C@@]([H])(N([H])C(=O)C(\[H])=C(\[H])/C(/[H])=C(\[H])C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H] InChI=1S/C12H18N2O2/c1-4-5-6-7-11(15)14-10(3)8-9(2)12(13)16/h4-8,10H,1-3H3,(H2,13,16)(H,14,15)/b5-4+,7-6-,9-8+/t10-/m0/s1 |
|---|
| Synonyms | | Value | Source |
|---|
| (2Z,4E)-N-[(2S,3E)-4-(C-Hydroxycarbonimidoyl)-4-methylbut-3-en-2-yl]hexa-2,4-dienimidate | Generator |
|
|---|
| Chemical Formula | C12H18N2O2 |
|---|
| Average Mass | 222.2880 Da |
|---|
| Monoisotopic Mass | 222.13683 Da |
|---|
| IUPAC Name | (2Z,4E)-N-[(2S,3E)-4-carbamoyl-4-methylbut-3-en-2-yl]hexa-2,4-dienamide |
|---|
| Traditional Name | (2Z,4E)-N-[(2S,3E)-4-carbamoyl-4-methylbut-3-en-2-yl]hexa-2,4-dienamide |
|---|
| CAS Registry Number | Not Available |
|---|
| SMILES | C\C=C\C=C/C(=O)N[C@@H](C)\C=C(/C)C(N)=O |
|---|
| InChI Identifier | InChI=1S/C12H18N2O2/c1-4-5-6-7-11(15)14-10(3)8-9(2)12(13)16/h4-8,10H,1-3H3,(H2,13,16)(H,14,15)/b5-4+,7-6-,9-8+/t10-/m0/s1 |
|---|
| InChI Key | RLRAXUHUWIIGIW-MSZNJUQXSA-N |
|---|
| Experimental Spectra |
|---|
|
| Not Available | | Predicted Spectra |
|---|
|
| | Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
|---|
| 1D NMR | 13C NMR Spectrum (1D, 25 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| | Chemical Shift Submissions |
|---|
|
| Not Available | | Species |
|---|
| Species of Origin | |
|---|
| Chemical Taxonomy |
|---|
| Description | Belongs to the class of organic compounds known as n-acyl amines. N-acyl amines are compounds containing a fatty acid moiety linked to an amine group through an ester linkage. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Lipids and lipid-like molecules |
|---|
| Class | Fatty Acyls |
|---|
| Sub Class | Fatty amides |
|---|
| Direct Parent | N-acyl amines |
|---|
| Alternative Parents | |
|---|
| Substituents | - N-acyl-amine
- Secondary carboxylic acid amide
- Primary carboxylic acid amide
- Carboxamide group
- Carboxylic acid derivative
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Carbonyl group
- Aliphatic acyclic compound
|
|---|
| Molecular Framework | Aliphatic acyclic compounds |
|---|
| External Descriptors | 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 | |
|---|