Record Information |
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Version | 5.0 |
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Status | Detected but not Quantified |
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Creation Date | 2021-09-11 09:19:11 UTC |
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Update Date | 2021-10-01 21:27:49 UTC |
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HMDB ID | HMDB0251736 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | Elastin |
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Description | 1-{2-[(1-hydroxy-2-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxyethylidene)amino]-4-methylpentylidene}amino)-3-methylpentylidene]amino}ethylidene)amino]-3-methylbutanoyl}-N-methylpyrrolidine-2-carboximidic acid 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 1-{2-[(1-hydroxy-2-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxyethylidene)amino]-4-methylpentylidene}amino)-3-methylpentylidene]amino}ethylidene)amino]-3-methylbutanoyl}-N-methylpyrrolidine-2-carboximidic acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). Elastin is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Elastin is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources. |
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Structure | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)NCC(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC InChI=1S/C27H48N6O6/c1-9-17(6)23(32-24(36)19(13-15(2)3)30-18(7)34)26(38)29-14-21(35)31-22(16(4)5)27(39)33-12-10-11-20(33)25(37)28-8/h15-17,19-20,22-23H,9-14H2,1-8H3,(H,28,37)(H,29,38)(H,30,34)(H,31,35)(H,32,36) |
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Synonyms | Value | Source |
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1-{2-[(1-hydroxy-2-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxyethylidene)amino]-4-methylpentylidene}amino)-3-methylpentylidene]amino}ethylidene)amino]-3-methylbutanoyl}-N-methylpyrrolidine-2-carboximidate | Generator |
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Chemical Formula | C27H48N6O6 |
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Average Molecular Weight | 552.717 |
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Monoisotopic Molecular Weight | 552.36353329 |
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IUPAC Name | 1-(2-{2-[2-(2-acetamido-4-methylpentanamido)-3-methylpentanamido]acetamido}-3-methylbutanoyl)-N-methylpyrrolidine-2-carboxamide |
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Traditional Name | 1-(2-{2-[2-(2-acetamido-4-methylpentanamido)-3-methylpentanamido]acetamido}-3-methylbutanoyl)-N-methylpyrrolidine-2-carboxamide |
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CAS Registry Number | Not Available |
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SMILES | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)NCC(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC |
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InChI Identifier | InChI=1S/C27H48N6O6/c1-9-17(6)23(32-24(36)19(13-15(2)3)30-18(7)34)26(38)29-14-21(35)31-22(16(4)5)27(39)33-12-10-11-20(33)25(37)28-8/h15-17,19-20,22-23H,9-14H2,1-8H3,(H,28,37)(H,29,38)(H,30,34)(H,31,35)(H,32,36) |
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InChI Key | DPUYCSDGMSDKKV-UHFFFAOYSA-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
- Leucine or derivatives
- Isoleucine or derivatives
- Valine or derivatives
- Proline or derivatives
- N-acyl-alpha amino acid or derivatives
- Alpha-amino acid amide
- N-substituted-alpha-amino acid
- Alpha-amino acid or derivatives
- N-acylpyrrolidine
- Pyrrolidine carboxylic acid or derivatives
- Pyrrolidine-2-carboxamide
- Fatty amide
- N-acyl-amine
- Fatty acyl
- Pyrrolidine
- Acetamide
- Tertiary carboxylic acid amide
- Carboxamide group
- Secondary carboxylic acid amide
- Azacycle
- Organoheterocyclic compound
- Organic oxygen compound
- Organooxygen compound
- Organonitrogen compound
- Hydrocarbon derivative
- Organic nitrogen compound
- Carbonyl group
- Organic oxide
- 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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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 | Not Available |
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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 | Not Available | Not Available |
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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 SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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Elastin,1TMS,isomer #1 | CCC(C)C(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C | 3791.8 | Semi standard non polar | 33892256 | Elastin,1TMS,isomer #1 | CCC(C)C(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C | 3745.3 | Standard non polar | 33892256 | Elastin,1TMS,isomer #1 | CCC(C)C(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C | 5866.7 | Standard polar | 33892256 | Elastin,1TMS,isomer #2 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C | 3844.0 | Semi standard non polar | 33892256 | Elastin,1TMS,isomer #2 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C | 3759.0 | Standard non polar | 33892256 | Elastin,1TMS,isomer #2 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C | 5928.3 | Standard polar | 33892256 | Elastin,1TMS,isomer #3 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C | 3888.1 | Semi standard non polar | 33892256 | Elastin,1TMS,isomer #3 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C | 3794.0 | Standard non polar | 33892256 | Elastin,1TMS,isomer #3 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C | 5903.8 | Standard polar | 33892256 | Elastin,1TMS,isomer #4 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C | 3809.6 | Semi standard non polar | 33892256 | Elastin,1TMS,isomer #4 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C | 3763.4 | Standard non polar | 33892256 | Elastin,1TMS,isomer #4 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C | 5949.0 | Standard polar | 33892256 | Elastin,1TMS,isomer #5 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C | 3931.4 | Semi standard non polar | 33892256 | Elastin,1TMS,isomer #5 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C | 3771.7 | Standard non polar | 33892256 | Elastin,1TMS,isomer #5 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C | 5801.5 | Standard polar | 33892256 | Elastin,2TMS,isomer #1 | CCC(C)C(C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C | 3710.8 | Semi standard non polar | 33892256 | Elastin,2TMS,isomer #1 | CCC(C)C(C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C | 3838.2 | Standard non polar | 33892256 | Elastin,2TMS,isomer #1 | CCC(C)C(C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C | 5374.7 | Standard polar | 33892256 | Elastin,2TMS,isomer #10 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C)[Si](C)(C)C | 3803.6 | Semi standard non polar | 33892256 | Elastin,2TMS,isomer #10 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C)[Si](C)(C)C | 3819.2 | Standard non polar | 33892256 | Elastin,2TMS,isomer #10 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C)[Si](C)(C)C | 5351.9 | Standard polar | 33892256 | Elastin,2TMS,isomer #2 | CCC(C)C(C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C | 3673.9 | Semi standard non polar | 33892256 | Elastin,2TMS,isomer #2 | CCC(C)C(C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C | 3819.5 | Standard non polar | 33892256 | Elastin,2TMS,isomer #2 | CCC(C)C(C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C | 5395.4 | Standard polar | 33892256 | Elastin,2TMS,isomer #3 | CCC(C)C(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C | 3764.4 | Semi standard non polar | 33892256 | Elastin,2TMS,isomer #3 | CCC(C)C(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C | 3805.5 | Standard non polar | 33892256 | Elastin,2TMS,isomer #3 | CCC(C)C(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C | 5299.0 | Standard polar | 33892256 | Elastin,2TMS,isomer #4 | CCC(C)C(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C)N(C(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)[Si](C)(C)C | 3705.9 | Semi standard non polar | 33892256 | Elastin,2TMS,isomer #4 | CCC(C)C(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C)N(C(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)[Si](C)(C)C | 3796.8 | Standard non polar | 33892256 | Elastin,2TMS,isomer #4 | CCC(C)C(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C)N(C(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)[Si](C)(C)C | 5402.1 | Standard polar | 33892256 | Elastin,2TMS,isomer #5 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C | 3766.9 | Semi standard non polar | 33892256 | Elastin,2TMS,isomer #5 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C | 3859.2 | Standard non polar | 33892256 | Elastin,2TMS,isomer #5 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C | 5432.0 | Standard polar | 33892256 | Elastin,2TMS,isomer #6 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C | 3724.5 | Semi standard non polar | 33892256 | Elastin,2TMS,isomer #6 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C | 3830.1 | Standard non polar | 33892256 | Elastin,2TMS,isomer #6 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C | 5461.8 | Standard polar | 33892256 | Elastin,2TMS,isomer #7 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C | 3834.4 | Semi standard non polar | 33892256 | Elastin,2TMS,isomer #7 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C | 3823.9 | Standard non polar | 33892256 | Elastin,2TMS,isomer #7 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C | 5360.1 | Standard polar | 33892256 | Elastin,2TMS,isomer #8 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)N(CC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C)[Si](C)(C)C | 3726.8 | Semi standard non polar | 33892256 | Elastin,2TMS,isomer #8 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)N(CC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C)[Si](C)(C)C | 3835.7 | Standard non polar | 33892256 | Elastin,2TMS,isomer #8 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)N(CC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C)[Si](C)(C)C | 5437.1 | Standard polar | 33892256 | Elastin,2TMS,isomer #9 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C)[Si](C)(C)C | 3855.5 | Semi standard non polar | 33892256 | Elastin,2TMS,isomer #9 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C)[Si](C)(C)C | 3848.9 | Standard non polar | 33892256 | Elastin,2TMS,isomer #9 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C)[Si](C)(C)C | 5334.4 | Standard polar | 33892256 | Elastin,3TMS,isomer #1 | CCC(C)C(C(=O)N(CC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C | 3658.3 | Semi standard non polar | 33892256 | Elastin,3TMS,isomer #1 | CCC(C)C(C(=O)N(CC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C | 3906.8 | Standard non polar | 33892256 | Elastin,3TMS,isomer #1 | CCC(C)C(C(=O)N(CC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C | 4975.9 | Standard polar | 33892256 | Elastin,3TMS,isomer #10 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)N(CC(=O)N(C(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C | 3739.8 | Semi standard non polar | 33892256 | Elastin,3TMS,isomer #10 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)N(CC(=O)N(C(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C | 3897.3 | Standard non polar | 33892256 | Elastin,3TMS,isomer #10 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)N(CC(=O)N(C(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C | 4950.6 | Standard polar | 33892256 | Elastin,3TMS,isomer #2 | CCC(C)C(C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C | 3733.6 | Semi standard non polar | 33892256 | Elastin,3TMS,isomer #2 | CCC(C)C(C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C | 3902.8 | Standard non polar | 33892256 | Elastin,3TMS,isomer #2 | CCC(C)C(C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C | 4916.6 | Standard polar | 33892256 | Elastin,3TMS,isomer #3 | CCC(C)C(C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C)N(C(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)[Si](C)(C)C | 3691.8 | Semi standard non polar | 33892256 | Elastin,3TMS,isomer #3 | CCC(C)C(C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C)N(C(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)[Si](C)(C)C | 3910.8 | Standard non polar | 33892256 | Elastin,3TMS,isomer #3 | CCC(C)C(C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C)N(C(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)[Si](C)(C)C | 4995.0 | Standard polar | 33892256 | Elastin,3TMS,isomer #4 | CCC(C)C(C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C | 3708.0 | Semi standard non polar | 33892256 | Elastin,3TMS,isomer #4 | CCC(C)C(C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C | 3884.1 | Standard non polar | 33892256 | Elastin,3TMS,isomer #4 | CCC(C)C(C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C | 4913.3 | Standard polar | 33892256 | Elastin,3TMS,isomer #5 | CCC(C)C(C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C)N(C(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)[Si](C)(C)C | 3664.0 | Semi standard non polar | 33892256 | Elastin,3TMS,isomer #5 | CCC(C)C(C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C)N(C(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)[Si](C)(C)C | 3891.3 | Standard non polar | 33892256 | Elastin,3TMS,isomer #5 | CCC(C)C(C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C)N(C(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)[Si](C)(C)C | 5006.7 | Standard polar | 33892256 | Elastin,3TMS,isomer #6 | CCC(C)C(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C)N(C(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)[Si](C)(C)C | 3728.6 | Semi standard non polar | 33892256 | Elastin,3TMS,isomer #6 | CCC(C)C(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C)N(C(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)[Si](C)(C)C | 3870.8 | Standard non polar | 33892256 | Elastin,3TMS,isomer #6 | CCC(C)C(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C)N(C(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)[Si](C)(C)C | 4945.1 | Standard polar | 33892256 | Elastin,3TMS,isomer #7 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)C(=O)N(CC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C)[Si](C)(C)C | 3688.4 | Semi standard non polar | 33892256 | Elastin,3TMS,isomer #7 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)C(=O)N(CC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C)[Si](C)(C)C | 3924.7 | Standard non polar | 33892256 | Elastin,3TMS,isomer #7 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)C(=O)N(CC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C)[Si](C)(C)C | 5038.4 | Standard polar | 33892256 | Elastin,3TMS,isomer #8 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C)[Si](C)(C)C | 3779.9 | Semi standard non polar | 33892256 | Elastin,3TMS,isomer #8 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C)[Si](C)(C)C | 3923.5 | Standard non polar | 33892256 | Elastin,3TMS,isomer #8 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C)[Si](C)(C)C | 4970.8 | Standard polar | 33892256 | Elastin,3TMS,isomer #9 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C)[Si](C)(C)C | 3747.8 | Semi standard non polar | 33892256 | Elastin,3TMS,isomer #9 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C)[Si](C)(C)C | 3893.0 | Standard non polar | 33892256 | Elastin,3TMS,isomer #9 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C)[Si](C)(C)C | 4975.9 | Standard polar | 33892256 | Elastin,4TMS,isomer #1 | CCC(C)C(C(=O)N(CC(=O)N(C(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C | 3711.7 | Semi standard non polar | 33892256 | Elastin,4TMS,isomer #1 | CCC(C)C(C(=O)N(CC(=O)N(C(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C | 3981.1 | Standard non polar | 33892256 | Elastin,4TMS,isomer #1 | CCC(C)C(C(=O)N(CC(=O)N(C(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C | 4566.0 | Standard polar | 33892256 | Elastin,4TMS,isomer #2 | CCC(C)C(C(=O)N(CC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)[Si](C)(C)C | 3696.6 | Semi standard non polar | 33892256 | Elastin,4TMS,isomer #2 | CCC(C)C(C(=O)N(CC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)[Si](C)(C)C | 3994.3 | Standard non polar | 33892256 | Elastin,4TMS,isomer #2 | CCC(C)C(C(=O)N(CC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)[Si](C)(C)C | 4643.8 | Standard polar | 33892256 | Elastin,4TMS,isomer #3 | CCC(C)C(C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)N(C(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)[Si](C)(C)C | 3743.3 | Semi standard non polar | 33892256 | Elastin,4TMS,isomer #3 | CCC(C)C(C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)N(C(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)[Si](C)(C)C | 3987.8 | Standard non polar | 33892256 | Elastin,4TMS,isomer #3 | CCC(C)C(C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)N(C(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)[Si](C)(C)C | 4611.7 | Standard polar | 33892256 | Elastin,4TMS,isomer #4 | CCC(C)C(C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)N(C(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)[Si](C)(C)C | 3719.6 | Semi standard non polar | 33892256 | Elastin,4TMS,isomer #4 | CCC(C)C(C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)N(C(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)[Si](C)(C)C | 3966.2 | Standard non polar | 33892256 | Elastin,4TMS,isomer #4 | CCC(C)C(C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)N(C(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)[Si](C)(C)C | 4594.8 | Standard polar | 33892256 | Elastin,4TMS,isomer #5 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)C(=O)N(CC(=O)N(C(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C | 3736.7 | Semi standard non polar | 33892256 | Elastin,4TMS,isomer #5 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)C(=O)N(CC(=O)N(C(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C | 3993.7 | Standard non polar | 33892256 | Elastin,4TMS,isomer #5 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C)C(=O)N(CC(=O)N(C(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C | 4628.2 | Standard polar | 33892256 | Elastin,1TBDMS,isomer #1 | CCC(C)C(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C(C)(C)C | 4078.8 | Semi standard non polar | 33892256 | Elastin,1TBDMS,isomer #1 | CCC(C)C(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C(C)(C)C | 3913.1 | Standard non polar | 33892256 | Elastin,1TBDMS,isomer #1 | CCC(C)C(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C(C)(C)C | 5733.5 | Standard polar | 33892256 | Elastin,1TBDMS,isomer #2 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C | 4121.7 | Semi standard non polar | 33892256 | Elastin,1TBDMS,isomer #2 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C | 3928.5 | Standard non polar | 33892256 | Elastin,1TBDMS,isomer #2 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C | 5787.9 | Standard polar | 33892256 | Elastin,1TBDMS,isomer #3 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C(C)(C)C | 4149.0 | Semi standard non polar | 33892256 | Elastin,1TBDMS,isomer #3 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C(C)(C)C | 3965.2 | Standard non polar | 33892256 | Elastin,1TBDMS,isomer #3 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C(C)(C)C | 5765.2 | Standard polar | 33892256 | Elastin,1TBDMS,isomer #4 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C(C)(C)C | 4108.9 | Semi standard non polar | 33892256 | Elastin,1TBDMS,isomer #4 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C(C)(C)C | 3929.8 | Standard non polar | 33892256 | Elastin,1TBDMS,isomer #4 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C(C)(C)C | 5803.5 | Standard polar | 33892256 | Elastin,1TBDMS,isomer #5 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C(C)(C)C)C(C)C | 4177.9 | Semi standard non polar | 33892256 | Elastin,1TBDMS,isomer #5 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C(C)(C)C)C(C)C | 3946.6 | Standard non polar | 33892256 | Elastin,1TBDMS,isomer #5 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C(C)(C)C)C(C)C | 5742.4 | Standard polar | 33892256 | Elastin,2TBDMS,isomer #1 | CCC(C)C(C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C(C)(C)C | 4244.6 | Semi standard non polar | 33892256 | Elastin,2TBDMS,isomer #1 | CCC(C)C(C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C(C)(C)C | 4162.2 | Standard non polar | 33892256 | Elastin,2TBDMS,isomer #1 | CCC(C)C(C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C(C)(C)C | 5284.2 | Standard polar | 33892256 | Elastin,2TBDMS,isomer #10 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C | 4327.7 | Semi standard non polar | 33892256 | Elastin,2TBDMS,isomer #10 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C | 4138.3 | Standard non polar | 33892256 | Elastin,2TBDMS,isomer #10 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C | 5294.5 | Standard polar | 33892256 | Elastin,2TBDMS,isomer #2 | CCC(C)C(C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C(C)(C)C | 4237.1 | Semi standard non polar | 33892256 | Elastin,2TBDMS,isomer #2 | CCC(C)C(C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C(C)(C)C | 4136.7 | Standard non polar | 33892256 | Elastin,2TBDMS,isomer #2 | CCC(C)C(C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C(C)(C)C | 5284.9 | Standard polar | 33892256 | Elastin,2TBDMS,isomer #3 | CCC(C)C(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C(C)(C)C)C(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C(C)(C)C | 4286.1 | Semi standard non polar | 33892256 | Elastin,2TBDMS,isomer #3 | CCC(C)C(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C(C)(C)C)C(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C(C)(C)C | 4127.6 | Standard non polar | 33892256 | Elastin,2TBDMS,isomer #3 | CCC(C)C(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C(C)(C)C)C(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C(C)(C)C | 5258.0 | Standard polar | 33892256 | Elastin,2TBDMS,isomer #4 | CCC(C)C(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C)N(C(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 4239.7 | Semi standard non polar | 33892256 | Elastin,2TBDMS,isomer #4 | CCC(C)C(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C)N(C(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 4126.8 | Standard non polar | 33892256 | Elastin,2TBDMS,isomer #4 | CCC(C)C(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C)N(C(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 5309.8 | Standard polar | 33892256 | Elastin,2TBDMS,isomer #5 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C(C)(C)C | 4306.5 | Semi standard non polar | 33892256 | Elastin,2TBDMS,isomer #5 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C(C)(C)C | 4185.3 | Standard non polar | 33892256 | Elastin,2TBDMS,isomer #5 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C(C)(C)C | 5319.6 | Standard polar | 33892256 | Elastin,2TBDMS,isomer #6 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C(C)(C)C | 4296.1 | Semi standard non polar | 33892256 | Elastin,2TBDMS,isomer #6 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C(C)(C)C | 4150.3 | Standard non polar | 33892256 | Elastin,2TBDMS,isomer #6 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C(C)(C)C | 5337.8 | Standard polar | 33892256 | Elastin,2TBDMS,isomer #7 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C(C)(C)C)C(C)C | 4334.8 | Semi standard non polar | 33892256 | Elastin,2TBDMS,isomer #7 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C(C)(C)C)C(C)C | 4150.3 | Standard non polar | 33892256 | Elastin,2TBDMS,isomer #7 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C(C)(C)C)C(C)C | 5308.9 | Standard polar | 33892256 | Elastin,2TBDMS,isomer #8 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)N(CC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 4272.6 | Semi standard non polar | 33892256 | Elastin,2TBDMS,isomer #8 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)N(CC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 4157.8 | Standard non polar | 33892256 | Elastin,2TBDMS,isomer #8 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)N(CC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 5329.8 | Standard polar | 33892256 | Elastin,2TBDMS,isomer #9 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C | 4352.9 | Semi standard non polar | 33892256 | Elastin,2TBDMS,isomer #9 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C | 4172.4 | Standard non polar | 33892256 | Elastin,2TBDMS,isomer #9 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C | 5285.5 | Standard polar | 33892256 | Elastin,3TBDMS,isomer #1 | CCC(C)C(C(=O)N(CC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C(C)(C)C | 4421.1 | Semi standard non polar | 33892256 | Elastin,3TBDMS,isomer #1 | CCC(C)C(C(=O)N(CC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C(C)(C)C | 4366.5 | Standard non polar | 33892256 | Elastin,3TBDMS,isomer #1 | CCC(C)C(C(=O)N(CC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C(C)(C)C | 4975.2 | Standard polar | 33892256 | Elastin,3TBDMS,isomer #10 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)N(CC(=O)N(C(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 4500.0 | Semi standard non polar | 33892256 | Elastin,3TBDMS,isomer #10 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)N(CC(=O)N(C(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 4357.1 | Standard non polar | 33892256 | Elastin,3TBDMS,isomer #10 | CCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)N(CC(=O)N(C(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 4979.5 | Standard polar | 33892256 | Elastin,3TBDMS,isomer #2 | CCC(C)C(C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C(C)(C)C | 4482.2 | Semi standard non polar | 33892256 | Elastin,3TBDMS,isomer #2 | CCC(C)C(C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C(C)(C)C | 4369.7 | Standard non polar | 33892256 | Elastin,3TBDMS,isomer #2 | CCC(C)C(C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C(C)(C)C | 4956.0 | Standard polar | 33892256 | Elastin,3TBDMS,isomer #3 | CCC(C)C(C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 4436.0 | Semi standard non polar | 33892256 | Elastin,3TBDMS,isomer #3 | CCC(C)C(C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 4384.3 | Standard non polar | 33892256 | Elastin,3TBDMS,isomer #3 | CCC(C)C(C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 5002.5 | Standard polar | 33892256 | Elastin,3TBDMS,isomer #4 | CCC(C)C(C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C(C)(C)C | 4465.9 | Semi standard non polar | 33892256 | Elastin,3TBDMS,isomer #4 | CCC(C)C(C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C(C)(C)C | 4337.0 | Standard non polar | 33892256 | Elastin,3TBDMS,isomer #4 | CCC(C)C(C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC(C)C)NC(C)=O)[Si](C)(C)C(C)(C)C | 4934.2 | Standard polar | 33892256 | Elastin,3TBDMS,isomer #5 | CCC(C)C(C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 4432.4 | Semi standard non polar | 33892256 | Elastin,3TBDMS,isomer #5 | CCC(C)C(C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 4351.6 | Standard non polar | 33892256 | Elastin,3TBDMS,isomer #5 | CCC(C)C(C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 4989.9 | Standard polar | 33892256 | Elastin,3TBDMS,isomer #6 | CCC(C)C(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C(C)(C)C)C(C)C)N(C(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 4463.4 | Semi standard non polar | 33892256 | Elastin,3TBDMS,isomer #6 | CCC(C)C(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C(C)(C)C)C(C)C)N(C(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 4341.3 | Standard non polar | 33892256 | Elastin,3TBDMS,isomer #6 | CCC(C)C(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C(C)(C)C)C(C)C)N(C(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 4986.0 | Standard polar | 33892256 | Elastin,3TBDMS,isomer #7 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 4459.5 | Semi standard non polar | 33892256 | Elastin,3TBDMS,isomer #7 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 4386.4 | Standard non polar | 33892256 | Elastin,3TBDMS,isomer #7 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)N(C(C(=O)N1CCCC1C(=O)NC)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 5017.2 | Standard polar | 33892256 | Elastin,3TBDMS,isomer #8 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C | 4519.2 | Semi standard non polar | 33892256 | Elastin,3TBDMS,isomer #8 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C | 4393.8 | Standard non polar | 33892256 | Elastin,3TBDMS,isomer #8 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)NC(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C | 4997.7 | Standard polar | 33892256 | Elastin,3TBDMS,isomer #9 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C | 4507.1 | Semi standard non polar | 33892256 | Elastin,3TBDMS,isomer #9 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C | 4352.7 | Standard non polar | 33892256 | Elastin,3TBDMS,isomer #9 | CCC(C)C(NC(=O)C(CC(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)N(C(C(=O)N1CCCC1C(=O)N(C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C | 4989.5 | Standard polar | 33892256 |
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| MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Elastin 10V, Positive-QTOF | splash10-0fb9-2921060000-fe146601f5b812c663ab | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Elastin 20V, Positive-QTOF | splash10-00di-9511000000-2eb56dd9b4f07fcdc213 | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Elastin 40V, Positive-QTOF | splash10-02g9-9400000000-95954a55a52f785e0a75 | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Elastin 10V, Negative-QTOF | splash10-0udi-1101190000-8e3476895c4303722350 | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Elastin 20V, Negative-QTOF | splash10-004i-6912110000-83876a5d0ac33fff2abc | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Elastin 40V, Negative-QTOF | splash10-052f-9310100000-23359f4448e9f6cf58d8 | 2021-10-12 | 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) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum |
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