| Record Information |
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| Version | 1.0 |
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| Creation date | 2011-09-21 00:21:04 UTC |
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| Update date | 2015-07-21 06:57:24 UTC |
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| Primary ID | FDB022883 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | Glycylprolylhydroxyproline |
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| Description | Glycylprolylhydroxyproline, also known as g-p-hyp or gly-L-pro-L-hyp, belongs to the class of organic compounds known as methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present. Glycylprolylhydroxyproline is a very strong basic compound (based on its pKa). |
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| CAS Number | 2239-67-0 |
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| Structure | |
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| Synonyms | |
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| Predicted Properties | |
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| Chemical Formula | C12H19N3O5 |
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| IUPAC name | (2S)-1-[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]-3-hydroxypyrrolidine-2-carboxylic acid |
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| InChI Identifier | InChI=1S/C12H19N3O5/c13-6-9(17)14-4-1-2-7(14)11(18)15-5-3-8(16)10(15)12(19)20/h7-8,10,16H,1-6,13H2,(H,19,20)/t7-,8?,10-/m0/s1 |
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| InChI Key | HVIBGVJOBJJPFB-OFQRNFBNSA-N |
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| Isomeric SMILES | NCC(=O)N1CCC[C@H]1C(=O)N1CCC(O)[C@H]1C(O)=O |
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| Average Molecular Weight | 285.2964 |
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| Monoisotopic Molecular Weight | 285.132470733 |
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| Classification |
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| Description | Belongs to the class of organic compounds known as methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Fatty Acyls |
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| Sub Class | Fatty acids and conjugates |
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| Direct Parent | Methyl-branched fatty acids |
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| Alternative Parents | |
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| Substituents | - Methyl-branched fatty acid
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Ontology | No ontology term |
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| Physico-Chemical Properties |
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| Physico-Chemical Properties - Experimental | |
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| Spectra |
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| Spectra | |
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| EI-MS/GC-MS | | Type | Description | Splash Key | View |
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| Predicted GC-MS | Glycylprolylhydroxyproline, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0a4l-9110000000-471113d72f59e4c941bd | Spectrum | | Predicted GC-MS | Glycylprolylhydroxyproline, 2 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-03fr-3809000000-a57a8cd3e5e0a4ec25a6 | Spectrum |
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| MS/MS | | Type | Description | Splash Key | View |
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| Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-014r-1190000000-f8935c9b6c81df2c54a8 | 2017-09-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-08or-9770000000-32f6c83af7e53a7aaac5 | 2017-09-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00e9-9400000000-bd2a4d19160070c33cd1 | 2017-09-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-007o-0090000000-b685812694df586fc2a4 | 2017-09-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00dl-1390000000-653b84ae8026f841c1a2 | 2017-09-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-003s-9720000000-e732b40f68a38427f41b | 2017-09-01 | View Spectrum |
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| NMR | Not Available |
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| External Links |
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| ChemSpider ID | 13628308 |
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| ChEMBL ID | Not Available |
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| KEGG Compound ID | Not Available |
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| Pubchem Compound ID | 21252274 |
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| Pubchem Substance ID | Not Available |
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| ChEBI ID | Not Available |
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| Phenol-Explorer ID | Not Available |
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| DrugBank ID | Not Available |
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| HMDB ID | HMDB02171 |
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| CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
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| EAFUS ID | Not Available |
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| Dr. Duke ID | Not Available |
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| BIGG ID | Not Available |
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| KNApSAcK ID | Not Available |
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| HET ID | Not Available |
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| Food Biomarker Ontology | Not Available |
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| VMH ID | Not Available |
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| Flavornet ID | Not Available |
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| GoodScent ID | Not Available |
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| SuperScent ID | Not Available |
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| Wikipedia ID | Not Available |
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| Phenol-Explorer Metabolite ID | Not Available |
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| Duplicate IDS | Not Available |
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| Old DFC IDS | Not Available |
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| Associated Foods |
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| Biological Effects and Interactions |
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| Health Effects / Bioactivities | Not Available |
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| Enzymes | Not Available |
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| Pathways | Not Available |
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| Metabolism | Not Available |
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| Biosynthesis | Not Available |
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| Organoleptic Properties |
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| Flavours | Not Available |
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| Files |
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| MSDS | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| General Reference | Not Available |
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| Content Reference | |
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