Record Information |
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Version | 5.0 |
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Status | Detected but not Quantified |
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Creation Date | 2012-09-06 21:03:43 UTC |
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Update Date | 2021-09-14 15:37:04 UTC |
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HMDB ID | HMDB0029106 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Tyrosylhydroxyproline |
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Description | Tyrosylhydroxyproline, also known as y-HP dipeptide or tyr-hpro, belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Tyrosylhydroxyproline has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make tyrosylhydroxyproline a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Tyrosylhydroxyproline. |
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Structure | N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1C[C@H](O)C[C@H]1C(O)=O InChI=1S/C14H18N2O5/c15-11(5-8-1-3-9(17)4-2-8)13(19)16-7-10(18)6-12(16)14(20)21/h1-4,10-12,17-18H,5-7,15H2,(H,20,21)/t10-,11+,12+/m1/s1 |
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Synonyms | Value | Source |
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Tyrosine hydroxyproline dipeptide | HMDB | L-Tyrosyl-L-hydroxyproline | HMDB | Tyr-hpro | HMDB | Tyrosine-hydroxyproline dipeptide | HMDB | Y-HP dipeptide | HMDB | YHP dipeptide | HMDB | Tyr-hyp | HMDB | L-Tyr-L-hyp | HMDB | Tyrosyl-hydroxyproline | HMDB | (2S,4R)-1-[(2S)-2-Amino-3-(4-hydroxyphenyl)propanoyl]-4-hydroxypyrrolidine-2-carboxylate | HMDB | Tyrosylhydroxyproline | HMDB |
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Chemical Formula | C14H18N2O5 |
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Average Molecular Weight | 294.307 |
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Monoisotopic Molecular Weight | 294.121571688 |
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IUPAC Name | (2S,4R)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid |
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Traditional Name | (2S,4R)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid |
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CAS Registry Number | 936346-34-8 |
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SMILES | N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1C[C@H](O)C[C@H]1C(O)=O |
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InChI Identifier | InChI=1S/C14H18N2O5/c15-11(5-8-1-3-9(17)4-2-8)13(19)16-7-10(18)6-12(16)14(20)21/h1-4,10-12,17-18H,5-7,15H2,(H,20,21)/t10-,11+,12+/m1/s1 |
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InChI Key | FTWOPDCJCRFTHX-WOPDTQHZSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. |
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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 | Dipeptides |
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Alternative Parents | |
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Substituents | - Alpha-dipeptide
- Proline or derivatives
- N-acyl-l-alpha-amino acid
- N-acyl-alpha amino acid or derivatives
- N-acyl-alpha-amino acid
- Alpha-amino acid amide
- Alpha-amino acid or derivatives
- Amphetamine or derivatives
- N-acylpyrrolidine
- Pyrrolidine carboxylic acid
- Pyrrolidine carboxylic acid or derivatives
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Aralkylamine
- Monocyclic benzene moiety
- Benzenoid
- Tertiary carboxylic acid amide
- Pyrrolidine
- Amino acid or derivatives
- Carboxamide group
- Secondary alcohol
- Amino acid
- Azacycle
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Organoheterocyclic compound
- Organic oxygen compound
- Primary aliphatic amine
- Organic nitrogen compound
- Alcohol
- Carbonyl group
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Amine
- Primary amine
- Organooxygen compound
- Organonitrogen compound
- Aromatic heteromonocyclic compound
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Molecular Framework | Aromatic heteromonocyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | Not Available |
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Physical Properties |
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State | Solid |
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Experimental Molecular 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 | -2.9 | Extrapolated |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredictor | Adduct Type | CCS Value (Å2) | Reference |
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DeepCCS | [M+H]+ | 170.507 | 30932474 | DeepCCS | [M-H]- | 168.149 | 30932474 | DeepCCS | [M-2H]- | 202.202 | 30932474 | DeepCCS | [M+Na]+ | 177.818 | 30932474 |
Predicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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Tyrosylhydroxyproline,1TMS,isomer #1 | C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2C[C@H](O)C[C@H]2C(=O)O)C=C1 | 2752.1 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,1TMS,isomer #2 | C[Si](C)(C)O[C@@H]1C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CC2=CC=C(O)C=C2)C1 | 2812.2 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,1TMS,isomer #3 | C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1 | 2717.4 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,1TMS,isomer #4 | C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1C[C@H](O)C[C@H]1C(=O)O | 2802.9 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,2TMS,isomer #1 | C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2C[C@H](O[Si](C)(C)C)C[C@H]2C(=O)O)C=C1 | 2750.1 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,2TMS,isomer #2 | C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1 | 2723.9 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,2TMS,isomer #3 | C[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N1C[C@H](O)C[C@H]1C(=O)O | 2755.9 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,2TMS,isomer #4 | C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C)CN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1 | 2720.4 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,2TMS,isomer #5 | C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1C[C@H](O[Si](C)(C)C)C[C@H]1C(=O)O | 2765.7 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,2TMS,isomer #6 | C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1C[C@H](O)C[C@H]1C(=O)O[Si](C)(C)C | 2717.4 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,2TMS,isomer #7 | C[Si](C)(C)N([C@@H](CC1=CC=C(O)C=C1)C(=O)N1C[C@H](O)C[C@H]1C(=O)O)[Si](C)(C)C | 2897.1 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,3TMS,isomer #1 | C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C)CN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1 | 2734.4 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,3TMS,isomer #2 | C[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N1C[C@H](O[Si](C)(C)C)C[C@H]1C(=O)O | 2746.1 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,3TMS,isomer #3 | C[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N1C[C@H](O)C[C@H]1C(=O)O[Si](C)(C)C | 2718.6 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,3TMS,isomer #4 | C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1 | 2874.1 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,3TMS,isomer #5 | C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1C[C@H](O[Si](C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C | 2691.4 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,3TMS,isomer #6 | C[Si](C)(C)O[C@@H]1C[C@@H](C(=O)O)N(C(=O)[C@H](CC2=CC=C(O)C=C2)N([Si](C)(C)C)[Si](C)(C)C)C1 | 2884.5 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,3TMS,isomer #7 | C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C | 2852.4 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,4TMS,isomer #1 | C[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N1C[C@H](O[Si](C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C | 2735.9 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,4TMS,isomer #1 | C[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N1C[C@H](O[Si](C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C | 2672.1 | Standard non polar | 33892256 | Tyrosylhydroxyproline,4TMS,isomer #2 | C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)N2C[C@H](O[Si](C)(C)C)C[C@H]2C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1 | 2904.9 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,4TMS,isomer #2 | C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)N2C[C@H](O[Si](C)(C)C)C[C@H]2C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1 | 2795.8 | Standard non polar | 33892256 | Tyrosylhydroxyproline,4TMS,isomer #3 | C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C | 2872.1 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,4TMS,isomer #3 | C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C | 2747.8 | Standard non polar | 33892256 | Tyrosylhydroxyproline,4TMS,isomer #4 | C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C)CN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C | 2868.8 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,4TMS,isomer #4 | C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C)CN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C | 2795.3 | Standard non polar | 33892256 | Tyrosylhydroxyproline,5TMS,isomer #1 | C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C)CN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C | 2917.0 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,5TMS,isomer #1 | C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C)CN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C | 2765.3 | Standard non polar | 33892256 | Tyrosylhydroxyproline,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2C[C@H](O)C[C@H]2C(=O)O)C=C1 | 3025.9 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CC2=CC=C(O)C=C2)C1 | 3065.5 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1 | 2987.4 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,1TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1C[C@H](O)C[C@H]1C(=O)O | 3038.5 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]2C(=O)O)C=C1 | 3271.5 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1 | 3211.0 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N1C[C@H](O)C[C@H]1C(=O)O | 3272.2 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1 | 3223.7 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,2TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O | 3265.8 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,2TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1C[C@H](O)C[C@H]1C(=O)O[Si](C)(C)C(C)(C)C | 3211.8 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,2TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)N([C@@H](CC1=CC=C(O)C=C1)C(=O)N1C[C@H](O)C[C@H]1C(=O)O)[Si](C)(C)C(C)(C)C | 3314.0 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1 | 3439.3 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O | 3501.1 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N1C[C@H](O)C[C@H]1C(=O)O[Si](C)(C)C(C)(C)C | 3449.4 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,3TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1 | 3597.8 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,3TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C(C)(C)C | 3419.4 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,3TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](C(=O)O)N(C(=O)[C@H](CC2=CC=C(O)C=C2)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1 | 3568.7 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,3TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 3526.6 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C(C)(C)C | 3675.6 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C(C)(C)C | 3405.3 | Standard non polar | 33892256 | Tyrosylhydroxyproline,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)N2C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]2C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1 | 3865.5 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)N2C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]2C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1 | 3509.4 | Standard non polar | 33892256 | Tyrosylhydroxyproline,4TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 3807.7 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,4TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 3490.3 | Standard non polar | 33892256 | Tyrosylhydroxyproline,4TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 3767.8 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,4TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 3502.2 | Standard non polar | 33892256 | Tyrosylhydroxyproline,5TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 4049.3 | Semi standard non polar | 33892256 | Tyrosylhydroxyproline,5TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 3597.3 | Standard non polar | 33892256 |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - Tyrosylhydroxyproline GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Tyrosylhydroxyproline GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Tyrosylhydroxyproline 10V, Negative-QTOF | splash10-03fu-0890000000-acf3f0af257ef92640e5 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Tyrosylhydroxyproline 20V, Negative-QTOF | splash10-03di-1900000000-500625e4aa1a845fc62e | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Tyrosylhydroxyproline 40V, Negative-QTOF | splash10-052f-9400000000-f10558975205fca7e035 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Tyrosylhydroxyproline 10V, Positive-QTOF | splash10-0002-0590000000-0f2fc35703be5ee9fb66 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Tyrosylhydroxyproline 20V, Positive-QTOF | splash10-000i-0910000000-d36911046a516fb81b59 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Tyrosylhydroxyproline 40V, Positive-QTOF | splash10-06yd-4900000000-073bbd508962183a1cf8 | 2021-09-23 | Wishart Lab | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum |
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Disease References | Iron deficiency |
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- Lee T, Clavel T, Smirnov K, Schmidt A, Lagkouvardos I, Walker A, Lucio M, Michalke B, Schmitt-Kopplin P, Fedorak R, Haller D: Oral versus intravenous iron replacement therapy distinctly alters the gut microbiota and metabolome in patients with IBD. Gut. 2017 May;66(5):863-871. doi: 10.1136/gutjnl-2015-309940. Epub 2016 Feb 4. [PubMed:26848182 ]
| Ulcerative colitis |
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- Lee T, Clavel T, Smirnov K, Schmidt A, Lagkouvardos I, Walker A, Lucio M, Michalke B, Schmitt-Kopplin P, Fedorak R, Haller D: Oral versus intravenous iron replacement therapy distinctly alters the gut microbiota and metabolome in patients with IBD. Gut. 2017 May;66(5):863-871. doi: 10.1136/gutjnl-2015-309940. Epub 2016 Feb 4. [PubMed:26848182 ]
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