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Showing metabocard for Elastin (HMDB0251736)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesenzymes (38) Show 38 proteinsXML
enzymes (38) Show 38 proteins
Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 09:19:11 UTC
Update Date2021-10-01 21:27:49 UTC
HMDB IDHMDB0251736
Secondary Accession NumbersNone
Metabolite Identification
Common NameElastin
Description1-{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.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0251736 (Elastin)


  Mrv1652309112111192D          

 39 39  0  0  0  0            999 V2000
    4.8892    2.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0176    1.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    0.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4291    1.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9158    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2742   -0.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4025   -1.1877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5043   -0.0764    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8627   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0927   -0.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9644    0.5163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4511   -0.8173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 37 39  1  0  0  0  0
M  END
Download

3D MOL for HMDB0251736 (Elastin)

HMDB0251736
     RDKit          3D
Elastin
 87 87  0  0  0  0  0  0  0  0999 V2000
   -2.2659   -3.3145   -0.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4590   -1.0195    0.9263 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5257    0.4856    0.6347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5963    0.6530   -0.2878 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7471    1.4746   -0.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9092    2.1171    0.9431 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7901    1.5323   -1.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4103    0.2066   -1.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1503   -0.4047   -0.2609 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6638    1.2010   -0.5858 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3043   -0.8868    3.3436 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8687    1.4333   -2.0065 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7949    1.4368   -0.4500 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6840   -0.3060   -2.3685 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4269   -1.9487   -2.6093 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 39 87  1  0
M  END
Download

3D SDF for HMDB0251736 (Elastin)


  Mrv1652309112111192D          

 39 39  0  0  0  0            999 V2000
    4.8892    2.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0176    1.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    0.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4291    1.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9158    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2742   -0.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4025   -1.1877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5043   -0.0764    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8627   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0927   -0.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9644    0.5163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4511   -0.8173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6812   -0.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5529    0.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7829    0.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1945    0.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0396   -1.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2696   -0.7432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1679   -1.8545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9026   -2.2297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7728   -3.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9579   -3.1728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5840   -2.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2307   -2.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5257   -1.5371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7505   -2.9482    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4555   -3.7187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6858   -0.1505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3274    0.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1991    1.1831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0973    0.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7389    0.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6106    1.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8407    1.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2522    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2256   -0.7432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9956   -1.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1239   -1.8545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6372   -0.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 19 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
  5 28  1  0  0  0  0
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 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 31 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0251736

> <DATABASE_NAME>
hmdb

> <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

> <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)

> <INCHI_KEY>
DPUYCSDGMSDKKV-UHFFFAOYSA-N

> <FORMULA>
C27H48N6O6

> <MOLECULAR_WEIGHT>
552.717

> <EXACT_MASS>
552.36353329

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
87

> <JCHEM_AVERAGE_POLARIZABILITY>
60.63449535839162

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-(2-{2-[2-(2-acetamido-4-methylpentanamido)-3-methylpentanamido]acetamido}-3-methylbutanoyl)-N-methylpyrrolidine-2-carboxamide

> <ALOGPS_LOGP>
1.28

> <JCHEM_LOGP>
-0.3116366496666661

> <ALOGPS_LOGS>
-3.61

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.557598643567715

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.04084084800123

> <JCHEM_PKA_STRONGEST_BASIC>
-1.7359713929242417

> <JCHEM_POLAR_SURFACE_AREA>
165.81

> <JCHEM_REFRACTIVITY>
145.31059999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.36e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-(2-{2-[2-(2-acetamido-4-methylpentanamido)-3-methylpentanamido]acetamido}-3-methylbutanoyl)-N-methylpyrrolidine-2-carboxamide

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0251736 (Elastin)

HMDB0251736
     RDKit          3D
Elastin
 87 87  0  0  0  0  0  0  0  0999 V2000
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   -2.5257    0.4856    0.6347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5963    0.6530   -0.2878 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7471    1.4746   -0.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9092    2.1171    0.9431 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7901    1.5323   -1.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4103    0.2066   -1.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1503   -0.4047   -0.2609 C   0  0  0  0  0  0  0  0  0  0  0  0
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 39 85  1  0
 39 86  1  0
 39 87  1  0
M  END
Download

PDB for HMDB0251736 (Elastin)

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0       9.127   3.868   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.366   2.347   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.803   1.793   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.001   2.762   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      11.043   0.272   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.845  -0.696   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      10.085  -2.217   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0       8.408  -0.143   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0       7.210  -1.111   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.773  -0.558   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       5.534   0.964   0.000  0.00  0.00           O+0
HETATM   12  N   UNK     0       4.575  -1.526   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0       3.138  -0.972   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.899   0.549   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.461   1.102   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.096   1.517   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.941  -1.941   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       0.503  -1.387   0.000  0.00  0.00           O+0
HETATM   19  N   UNK     0       2.180  -3.462   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0       3.552  -4.162   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.309  -5.683   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       1.788  -5.923   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.090  -4.550   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -0.431  -4.307   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -0.981  -2.869   0.000  0.00  0.00           O+0
HETATM   26  N   UNK     0      -1.401  -5.503   0.000  0.00  0.00           N+0
HETATM   27  C   UNK     0      -0.850  -6.942   0.000  0.00  0.00           C+0
HETATM   28  N   UNK     0      12.480  -0.281   0.000  0.00  0.00           N+0
HETATM   29  C   UNK     0      13.678   0.687   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      13.438   2.208   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      15.115   0.134   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      16.313   1.102   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      16.073   2.623   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      14.636   3.176   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      17.271   3.591   0.000  0.00  0.00           C+0
HETATM   36  N   UNK     0      15.355  -1.387   0.000  0.00  0.00           N+0
HETATM   37  C   UNK     0      16.792  -1.941   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      17.031  -3.462   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      17.989  -0.972   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   28                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14   17                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17   13   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   23                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   19   24                                                  
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27   26                                                            
CONECT   28    5   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   36                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33                                                            
CONECT   36   31   37                                                       
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   78    0
END
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3D PDB for HMDB0251736 (Elastin)

COMPND    HMDB0251736
HETATM    1  C1  UNL     1      -2.266  -3.314  -0.053  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.194  -1.805  -0.330  1.00  0.00           C  
HETATM    3  C3  UNL     1      -2.459  -1.019   0.926  1.00  0.00           C  
HETATM    4  C4  UNL     1      -3.837  -1.377   1.474  1.00  0.00           C  
HETATM    5  C5  UNL     1      -2.526   0.486   0.635  1.00  0.00           C  
HETATM    6  N1  UNL     1      -3.596   0.653  -0.288  1.00  0.00           N  
HETATM    7  C6  UNL     1      -4.747   1.475  -0.081  1.00  0.00           C  
HETATM    8  O1  UNL     1      -4.909   2.117   0.943  1.00  0.00           O  
HETATM    9  C7  UNL     1      -5.790   1.532  -1.177  1.00  0.00           C  
HETATM   10  C8  UNL     1      -6.410   0.207  -1.395  1.00  0.00           C  
HETATM   11  C9  UNL     1      -7.150  -0.405  -0.261  1.00  0.00           C  
HETATM   12  C10 UNL     1      -7.620  -1.807  -0.742  1.00  0.00           C  
HETATM   13  C11 UNL     1      -8.505   0.296  -0.010  1.00  0.00           C  
HETATM   14  N2  UNL     1      -6.703   2.602  -0.913  1.00  0.00           N  
HETATM   15  C12 UNL     1      -6.287   3.943  -0.642  1.00  0.00           C  
HETATM   16  C13 UNL     1      -7.257   5.024  -0.372  1.00  0.00           C  
HETATM   17  O2  UNL     1      -5.061   4.221  -0.632  1.00  0.00           O  
HETATM   18  C14 UNL     1      -1.175   0.778  -0.110  1.00  0.00           C  
HETATM   19  O3  UNL     1      -1.401   0.782  -1.352  1.00  0.00           O  
HETATM   20  N3  UNL     1      -0.106   0.968   0.533  1.00  0.00           N  
HETATM   21  C15 UNL     1       1.145   1.190   1.278  1.00  0.00           C  
HETATM   22  C16 UNL     1       2.334   0.478   0.965  1.00  0.00           C  
HETATM   23  O4  UNL     1       3.375   0.820   1.724  1.00  0.00           O  
HETATM   24  N4  UNL     1       2.635  -0.502   0.029  1.00  0.00           N  
HETATM   25  C17 UNL     1       3.976  -1.113  -0.137  1.00  0.00           C  
HETATM   26  C18 UNL     1       4.715  -1.318   1.064  1.00  0.00           C  
HETATM   27  O5  UNL     1       3.997  -1.358   2.154  1.00  0.00           O  
HETATM   28  N5  UNL     1       6.085  -1.485   1.290  1.00  0.00           N  
HETATM   29  C19 UNL     1       6.672  -1.677   2.669  1.00  0.00           C  
HETATM   30  C20 UNL     1       8.139  -1.630   2.473  1.00  0.00           C  
HETATM   31  C21 UNL     1       8.319  -2.221   1.121  1.00  0.00           C  
HETATM   32  C22 UNL     1       7.169  -1.530   0.355  1.00  0.00           C  
HETATM   33  C23 UNL     1       7.680  -0.161  -0.009  1.00  0.00           C  
HETATM   34  O6  UNL     1       8.532  -0.107  -0.937  1.00  0.00           O  
HETATM   35  N6  UNL     1       7.274   1.020   0.613  1.00  0.00           N  
HETATM   36  C24 UNL     1       7.806   2.326   0.210  1.00  0.00           C  
HETATM   37  C25 UNL     1       4.545  -0.548  -1.366  1.00  0.00           C  
HETATM   38  C26 UNL     1       4.703   0.956  -1.416  1.00  0.00           C  
HETATM   39  C27 UNL     1       3.596  -0.876  -2.569  1.00  0.00           C  
HETATM   40  H1  UNL     1      -3.342  -3.614  -0.067  1.00  0.00           H  
HETATM   41  H2  UNL     1      -1.774  -3.856  -0.867  1.00  0.00           H  
HETATM   42  H3  UNL     1      -1.753  -3.599   0.865  1.00  0.00           H  
HETATM   43  H4  UNL     1      -2.911  -1.638  -1.152  1.00  0.00           H  
HETATM   44  H5  UNL     1      -1.168  -1.585  -0.757  1.00  0.00           H  
HETATM   45  H6  UNL     1      -1.732  -1.270   1.690  1.00  0.00           H  
HETATM   46  H7  UNL     1      -3.739  -2.320   2.088  1.00  0.00           H  
HETATM   47  H8  UNL     1      -4.079  -0.561   2.165  1.00  0.00           H  
HETATM   48  H9  UNL     1      -4.576  -1.459   0.665  1.00  0.00           H  
HETATM   49  H10 UNL     1      -2.589   1.086   1.531  1.00  0.00           H  
HETATM   50  H11 UNL     1      -3.572   0.165  -1.238  1.00  0.00           H  
HETATM   51  H12 UNL     1      -5.208   1.848  -2.100  1.00  0.00           H  
HETATM   52  H13 UNL     1      -7.151   0.247  -2.252  1.00  0.00           H  
HETATM   53  H14 UNL     1      -5.643  -0.524  -1.760  1.00  0.00           H  
HETATM   54  H15 UNL     1      -6.645  -0.446   0.702  1.00  0.00           H  
HETATM   55  H16 UNL     1      -8.064  -2.288   0.175  1.00  0.00           H  
HETATM   56  H17 UNL     1      -6.816  -2.434  -1.101  1.00  0.00           H  
HETATM   57  H18 UNL     1      -8.425  -1.633  -1.447  1.00  0.00           H  
HETATM   58  H19 UNL     1      -9.025   0.490  -0.941  1.00  0.00           H  
HETATM   59  H20 UNL     1      -8.463   1.067   0.743  1.00  0.00           H  
HETATM   60  H21 UNL     1      -9.143  -0.522   0.490  1.00  0.00           H  
HETATM   61  H22 UNL     1      -7.709   2.405  -0.966  1.00  0.00           H  
HETATM   62  H23 UNL     1      -7.871   4.678   0.500  1.00  0.00           H  
HETATM   63  H24 UNL     1      -6.753   5.970  -0.062  1.00  0.00           H  
HETATM   64  H25 UNL     1      -7.872   5.262  -1.262  1.00  0.00           H  
HETATM   65  H26 UNL     1       0.664   1.201  -0.586  1.00  0.00           H  
HETATM   66  H27 UNL     1       0.924   1.015   2.374  1.00  0.00           H  
HETATM   67  H28 UNL     1       1.324   2.350   1.243  1.00  0.00           H  
HETATM   68  H29 UNL     1       1.893  -0.845  -0.599  1.00  0.00           H  
HETATM   69  H30 UNL     1       3.641  -2.214  -0.412  1.00  0.00           H  
HETATM   70  H31 UNL     1       6.304  -0.887   3.344  1.00  0.00           H  
HETATM   71  H32 UNL     1       6.405  -2.700   3.049  1.00  0.00           H  
HETATM   72  H33 UNL     1       8.688  -2.323   3.183  1.00  0.00           H  
HETATM   73  H34 UNL     1       8.588  -0.638   2.612  1.00  0.00           H  
HETATM   74  H35 UNL     1       9.281  -1.924   0.633  1.00  0.00           H  
HETATM   75  H36 UNL     1       8.154  -3.296   1.129  1.00  0.00           H  
HETATM   76  H37 UNL     1       7.028  -2.174  -0.522  1.00  0.00           H  
HETATM   77  H38 UNL     1       6.577   1.002   1.389  1.00  0.00           H  
HETATM   78  H39 UNL     1       8.795   2.152  -0.230  1.00  0.00           H  
HETATM   79  H40 UNL     1       7.893   3.036   1.038  1.00  0.00           H  
HETATM   80  H41 UNL     1       7.113   2.813  -0.521  1.00  0.00           H  
HETATM   81  H42 UNL     1       5.538  -0.989  -1.653  1.00  0.00           H  
HETATM   82  H43 UNL     1       3.869   1.433  -2.007  1.00  0.00           H  
HETATM   83  H44 UNL     1       4.795   1.437  -0.450  1.00  0.00           H  
HETATM   84  H45 UNL     1       5.633   1.153  -2.022  1.00  0.00           H  
HETATM   85  H46 UNL     1       2.684  -0.306  -2.369  1.00  0.00           H  
HETATM   86  H47 UNL     1       4.104  -0.437  -3.420  1.00  0.00           H  
HETATM   87  H48 UNL     1       3.427  -1.949  -2.609  1.00  0.00           H  
CONECT    1    2   40   41   42
CONECT    2    3   43   44
CONECT    3    4    5   45
CONECT    4   46   47   48
CONECT    5    6   18   49
CONECT    6    7   50
CONECT    7    8    8    9
CONECT    9   10   14   51
CONECT   10   11   52   53
CONECT   11   12   13   54
CONECT   12   55   56   57
CONECT   13   58   59   60
CONECT   14   15   61
CONECT   15   16   17   17
CONECT   16   62   63   64
CONECT   18   19   19   20
CONECT   20   21   65
CONECT   21   22   66   67
CONECT   22   23   23   24
CONECT   24   25   68
CONECT   25   26   37   69
CONECT   26   27   27   28
CONECT   28   29   32
CONECT   29   30   70   71
CONECT   30   31   72   73
CONECT   31   32   74   75
CONECT   32   33   76
CONECT   33   34   34   35
CONECT   35   36   77
CONECT   36   78   79   80
CONECT   37   38   39   81
CONECT   38   82   83   84
CONECT   39   85   86   87
END
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SMILES for HMDB0251736 (Elastin)

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 for HMDB0251736 (Elastin)

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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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
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-carboximidateGenerator
Chemical FormulaC27H48N6O6
Average Molecular Weight552.717
Monoisotopic Molecular Weight552.36353329
IUPAC Name1-(2-{2-[2-(2-acetamido-4-methylpentanamido)-3-methylpentanamido]acetamido}-3-methylbutanoyl)-N-methylpyrrolidine-2-carboxamide
Traditional Name1-(2-{2-[2-(2-acetamido-4-methylpentanamido)-3-methylpentanamido]acetamido}-3-methylbutanoyl)-N-methylpyrrolidine-2-carboxamide
CAS Registry NumberNot Available
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
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)
InChI KeyDPUYCSDGMSDKKV-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.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentOligopeptides
Alternative Parents
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
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological location
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP1.28ALOGPS
logP-0.31ChemAxon
logS-3.6ALOGPS
pKa (Strongest Acidic)12.04ChemAxon
pKa (Strongest Basic)-1.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area165.81 ŲChemAxon
Rotatable Bond Count14ChemAxon
Refractivity145.31 m³·mol⁻¹ChemAxon
Polarizability60.63 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+230.90630932474
DeepCCS[M-H]-228.51130932474
DeepCCS[M-2H]-261.39330932474
DeepCCS[M+Na]+236.81930932474
AllCCS[M+H]+234.832859911
AllCCS[M+H-H2O]+233.932859911
AllCCS[M+NH4]+235.632859911
AllCCS[M+Na]+235.932859911
AllCCS[M-H]-227.832859911
AllCCS[M+Na-2H]-230.532859911
AllCCS[M+HCOO]-233.632859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
ElastinCCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)NCC(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC4356.3Standard polar33892256
ElastinCCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)NCC(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC3153.7Standard non polar33892256
ElastinCCC(C)C(NC(=O)C(CC(C)C)NC(C)=O)C(=O)NCC(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC3927.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Elastin,1TMS,isomer #1CCC(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)C3791.8Semi standard non polar33892256
Elastin,1TMS,isomer #1CCC(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)C3745.3Standard non polar33892256
Elastin,1TMS,isomer #1CCC(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)C5866.7Standard polar33892256
Elastin,1TMS,isomer #2CCC(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)C3844.0Semi standard non polar33892256
Elastin,1TMS,isomer #2CCC(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)C3759.0Standard non polar33892256
Elastin,1TMS,isomer #2CCC(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)C5928.3Standard polar33892256
Elastin,1TMS,isomer #3CCC(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)C3888.1Semi standard non polar33892256
Elastin,1TMS,isomer #3CCC(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)C3794.0Standard non polar33892256
Elastin,1TMS,isomer #3CCC(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)C5903.8Standard polar33892256
Elastin,1TMS,isomer #4CCC(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)C3809.6Semi standard non polar33892256
Elastin,1TMS,isomer #4CCC(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)C3763.4Standard non polar33892256
Elastin,1TMS,isomer #4CCC(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)C5949.0Standard polar33892256
Elastin,1TMS,isomer #5CCC(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)C3931.4Semi standard non polar33892256
Elastin,1TMS,isomer #5CCC(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)C3771.7Standard non polar33892256
Elastin,1TMS,isomer #5CCC(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)C5801.5Standard polar33892256
Elastin,2TMS,isomer #1CCC(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)C3710.8Semi standard non polar33892256
Elastin,2TMS,isomer #1CCC(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)C3838.2Standard non polar33892256
Elastin,2TMS,isomer #1CCC(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)C5374.7Standard polar33892256
Elastin,2TMS,isomer #10CCC(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)C3803.6Semi standard non polar33892256
Elastin,2TMS,isomer #10CCC(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)C3819.2Standard non polar33892256
Elastin,2TMS,isomer #10CCC(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)C5351.9Standard polar33892256
Elastin,2TMS,isomer #2CCC(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)C3673.9Semi standard non polar33892256
Elastin,2TMS,isomer #2CCC(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)C3819.5Standard non polar33892256
Elastin,2TMS,isomer #2CCC(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)C5395.4Standard polar33892256
Elastin,2TMS,isomer #3CCC(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)C3764.4Semi standard non polar33892256
Elastin,2TMS,isomer #3CCC(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)C3805.5Standard non polar33892256
Elastin,2TMS,isomer #3CCC(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)C5299.0Standard polar33892256
Elastin,2TMS,isomer #4CCC(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)C3705.9Semi standard non polar33892256
Elastin,2TMS,isomer #4CCC(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)C3796.8Standard non polar33892256
Elastin,2TMS,isomer #4CCC(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)C5402.1Standard polar33892256
Elastin,2TMS,isomer #5CCC(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)C3766.9Semi standard non polar33892256
Elastin,2TMS,isomer #5CCC(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)C3859.2Standard non polar33892256
Elastin,2TMS,isomer #5CCC(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)C5432.0Standard polar33892256
Elastin,2TMS,isomer #6CCC(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)C3724.5Semi standard non polar33892256
Elastin,2TMS,isomer #6CCC(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)C3830.1Standard non polar33892256
Elastin,2TMS,isomer #6CCC(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)C5461.8Standard polar33892256
Elastin,2TMS,isomer #7CCC(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)C3834.4Semi standard non polar33892256
Elastin,2TMS,isomer #7CCC(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)C3823.9Standard non polar33892256
Elastin,2TMS,isomer #7CCC(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)C5360.1Standard polar33892256
Elastin,2TMS,isomer #8CCC(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)C3726.8Semi standard non polar33892256
Elastin,2TMS,isomer #8CCC(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)C3835.7Standard non polar33892256
Elastin,2TMS,isomer #8CCC(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)C5437.1Standard polar33892256
Elastin,2TMS,isomer #9CCC(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)C3855.5Semi standard non polar33892256
Elastin,2TMS,isomer #9CCC(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)C3848.9Standard non polar33892256
Elastin,2TMS,isomer #9CCC(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)C5334.4Standard polar33892256
Elastin,3TMS,isomer #1CCC(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)C3658.3Semi standard non polar33892256
Elastin,3TMS,isomer #1CCC(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)C3906.8Standard non polar33892256
Elastin,3TMS,isomer #1CCC(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)C4975.9Standard polar33892256
Elastin,3TMS,isomer #10CCC(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)C3739.8Semi standard non polar33892256
Elastin,3TMS,isomer #10CCC(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)C3897.3Standard non polar33892256
Elastin,3TMS,isomer #10CCC(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)C4950.6Standard polar33892256
Elastin,3TMS,isomer #2CCC(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)C3733.6Semi standard non polar33892256
Elastin,3TMS,isomer #2CCC(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)C3902.8Standard non polar33892256
Elastin,3TMS,isomer #2CCC(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)C4916.6Standard polar33892256
Elastin,3TMS,isomer #3CCC(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)C3691.8Semi standard non polar33892256
Elastin,3TMS,isomer #3CCC(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)C3910.8Standard non polar33892256
Elastin,3TMS,isomer #3CCC(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)C4995.0Standard polar33892256
Elastin,3TMS,isomer #4CCC(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)C3708.0Semi standard non polar33892256
Elastin,3TMS,isomer #4CCC(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)C3884.1Standard non polar33892256
Elastin,3TMS,isomer #4CCC(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)C4913.3Standard polar33892256
Elastin,3TMS,isomer #5CCC(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)C3664.0Semi standard non polar33892256
Elastin,3TMS,isomer #5CCC(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)C3891.3Standard non polar33892256
Elastin,3TMS,isomer #5CCC(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)C5006.7Standard polar33892256
Elastin,3TMS,isomer #6CCC(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)C3728.6Semi standard non polar33892256
Elastin,3TMS,isomer #6CCC(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)C3870.8Standard non polar33892256
Elastin,3TMS,isomer #6CCC(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)C4945.1Standard polar33892256
Elastin,3TMS,isomer #7CCC(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)C3688.4Semi standard non polar33892256
Elastin,3TMS,isomer #7CCC(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)C3924.7Standard non polar33892256
Elastin,3TMS,isomer #7CCC(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)C5038.4Standard polar33892256
Elastin,3TMS,isomer #8CCC(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)C3779.9Semi standard non polar33892256
Elastin,3TMS,isomer #8CCC(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)C3923.5Standard non polar33892256
Elastin,3TMS,isomer #8CCC(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)C4970.8Standard polar33892256
Elastin,3TMS,isomer #9CCC(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)C3747.8Semi standard non polar33892256
Elastin,3TMS,isomer #9CCC(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)C3893.0Standard non polar33892256
Elastin,3TMS,isomer #9CCC(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)C4975.9Standard polar33892256
Elastin,4TMS,isomer #1CCC(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)C3711.7Semi standard non polar33892256
Elastin,4TMS,isomer #1CCC(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)C3981.1Standard non polar33892256
Elastin,4TMS,isomer #1CCC(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)C4566.0Standard polar33892256
Elastin,4TMS,isomer #2CCC(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)C3696.6Semi standard non polar33892256
Elastin,4TMS,isomer #2CCC(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)C3994.3Standard non polar33892256
Elastin,4TMS,isomer #2CCC(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)C4643.8Standard polar33892256
Elastin,4TMS,isomer #3CCC(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)C3743.3Semi standard non polar33892256
Elastin,4TMS,isomer #3CCC(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)C3987.8Standard non polar33892256
Elastin,4TMS,isomer #3CCC(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)C4611.7Standard polar33892256
Elastin,4TMS,isomer #4CCC(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)C3719.6Semi standard non polar33892256
Elastin,4TMS,isomer #4CCC(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)C3966.2Standard non polar33892256
Elastin,4TMS,isomer #4CCC(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)C4594.8Standard polar33892256
Elastin,4TMS,isomer #5CCC(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)C3736.7Semi standard non polar33892256
Elastin,4TMS,isomer #5CCC(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)C3993.7Standard non polar33892256
Elastin,4TMS,isomer #5CCC(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)C4628.2Standard polar33892256
Elastin,1TBDMS,isomer #1CCC(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)C4078.8Semi standard non polar33892256
Elastin,1TBDMS,isomer #1CCC(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)C3913.1Standard non polar33892256
Elastin,1TBDMS,isomer #1CCC(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)C5733.5Standard polar33892256
Elastin,1TBDMS,isomer #2CCC(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)C4121.7Semi standard non polar33892256
Elastin,1TBDMS,isomer #2CCC(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)C3928.5Standard non polar33892256
Elastin,1TBDMS,isomer #2CCC(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)C5787.9Standard polar33892256
Elastin,1TBDMS,isomer #3CCC(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)C4149.0Semi standard non polar33892256
Elastin,1TBDMS,isomer #3CCC(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)C3965.2Standard non polar33892256
Elastin,1TBDMS,isomer #3CCC(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)C5765.2Standard polar33892256
Elastin,1TBDMS,isomer #4CCC(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)C4108.9Semi standard non polar33892256
Elastin,1TBDMS,isomer #4CCC(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)C3929.8Standard non polar33892256
Elastin,1TBDMS,isomer #4CCC(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)C5803.5Standard polar33892256
Elastin,1TBDMS,isomer #5CCC(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)C4177.9Semi standard non polar33892256
Elastin,1TBDMS,isomer #5CCC(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)C3946.6Standard non polar33892256
Elastin,1TBDMS,isomer #5CCC(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)C5742.4Standard polar33892256
Elastin,2TBDMS,isomer #1CCC(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)C4244.6Semi standard non polar33892256
Elastin,2TBDMS,isomer #1CCC(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)C4162.2Standard non polar33892256
Elastin,2TBDMS,isomer #1CCC(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)C5284.2Standard polar33892256
Elastin,2TBDMS,isomer #10CCC(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)C4327.7Semi standard non polar33892256
Elastin,2TBDMS,isomer #10CCC(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)C4138.3Standard non polar33892256
Elastin,2TBDMS,isomer #10CCC(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)C5294.5Standard polar33892256
Elastin,2TBDMS,isomer #2CCC(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)C4237.1Semi standard non polar33892256
Elastin,2TBDMS,isomer #2CCC(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)C4136.7Standard non polar33892256
Elastin,2TBDMS,isomer #2CCC(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)C5284.9Standard polar33892256
Elastin,2TBDMS,isomer #3CCC(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)C4286.1Semi standard non polar33892256
Elastin,2TBDMS,isomer #3CCC(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)C4127.6Standard non polar33892256
Elastin,2TBDMS,isomer #3CCC(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)C5258.0Standard polar33892256
Elastin,2TBDMS,isomer #4CCC(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)C4239.7Semi standard non polar33892256
Elastin,2TBDMS,isomer #4CCC(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)C4126.8Standard non polar33892256
Elastin,2TBDMS,isomer #4CCC(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)C5309.8Standard polar33892256
Elastin,2TBDMS,isomer #5CCC(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)C4306.5Semi standard non polar33892256
Elastin,2TBDMS,isomer #5CCC(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)C4185.3Standard non polar33892256
Elastin,2TBDMS,isomer #5CCC(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)C5319.6Standard polar33892256
Elastin,2TBDMS,isomer #6CCC(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)C4296.1Semi standard non polar33892256
Elastin,2TBDMS,isomer #6CCC(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)C4150.3Standard non polar33892256
Elastin,2TBDMS,isomer #6CCC(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)C5337.8Standard polar33892256
Elastin,2TBDMS,isomer #7CCC(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)C4334.8Semi standard non polar33892256
Elastin,2TBDMS,isomer #7CCC(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)C4150.3Standard non polar33892256
Elastin,2TBDMS,isomer #7CCC(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)C5308.9Standard polar33892256
Elastin,2TBDMS,isomer #8CCC(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)C4272.6Semi standard non polar33892256
Elastin,2TBDMS,isomer #8CCC(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)C4157.8Standard non polar33892256
Elastin,2TBDMS,isomer #8CCC(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)C5329.8Standard polar33892256
Elastin,2TBDMS,isomer #9CCC(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)C4352.9Semi standard non polar33892256
Elastin,2TBDMS,isomer #9CCC(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)C4172.4Standard non polar33892256
Elastin,2TBDMS,isomer #9CCC(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)C5285.5Standard polar33892256
Elastin,3TBDMS,isomer #1CCC(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)C4421.1Semi standard non polar33892256
Elastin,3TBDMS,isomer #1CCC(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)C4366.5Standard non polar33892256
Elastin,3TBDMS,isomer #1CCC(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)C4975.2Standard polar33892256
Elastin,3TBDMS,isomer #10CCC(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)C4500.0Semi standard non polar33892256
Elastin,3TBDMS,isomer #10CCC(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)C4357.1Standard non polar33892256
Elastin,3TBDMS,isomer #10CCC(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)C4979.5Standard polar33892256
Elastin,3TBDMS,isomer #2CCC(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)C4482.2Semi standard non polar33892256
Elastin,3TBDMS,isomer #2CCC(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)C4369.7Standard non polar33892256
Elastin,3TBDMS,isomer #2CCC(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)C4956.0Standard polar33892256
Elastin,3TBDMS,isomer #3CCC(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)C4436.0Semi standard non polar33892256
Elastin,3TBDMS,isomer #3CCC(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)C4384.3Standard non polar33892256
Elastin,3TBDMS,isomer #3CCC(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)C5002.5Standard polar33892256
Elastin,3TBDMS,isomer #4CCC(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)C4465.9Semi standard non polar33892256
Elastin,3TBDMS,isomer #4CCC(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)C4337.0Standard non polar33892256
Elastin,3TBDMS,isomer #4CCC(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)C4934.2Standard polar33892256
Elastin,3TBDMS,isomer #5CCC(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)C4432.4Semi standard non polar33892256
Elastin,3TBDMS,isomer #5CCC(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)C4351.6Standard non polar33892256
Elastin,3TBDMS,isomer #5CCC(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)C4989.9Standard polar33892256
Elastin,3TBDMS,isomer #6CCC(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)C4463.4Semi standard non polar33892256
Elastin,3TBDMS,isomer #6CCC(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)C4341.3Standard non polar33892256
Elastin,3TBDMS,isomer #6CCC(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)C4986.0Standard polar33892256
Elastin,3TBDMS,isomer #7CCC(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)C4459.5Semi standard non polar33892256
Elastin,3TBDMS,isomer #7CCC(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)C4386.4Standard non polar33892256
Elastin,3TBDMS,isomer #7CCC(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)C5017.2Standard polar33892256
Elastin,3TBDMS,isomer #8CCC(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)C4519.2Semi standard non polar33892256
Elastin,3TBDMS,isomer #8CCC(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)C4393.8Standard non polar33892256
Elastin,3TBDMS,isomer #8CCC(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)C4997.7Standard polar33892256
Elastin,3TBDMS,isomer #9CCC(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)C4507.1Semi standard non polar33892256
Elastin,3TBDMS,isomer #9CCC(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)C4352.7Standard non polar33892256
Elastin,3TBDMS,isomer #9CCC(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)C4989.5Standard polar33892256
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Elastin 10V, Positive-QTOFsplash10-0fb9-2921060000-fe146601f5b812c663ab2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Elastin 20V, Positive-QTOFsplash10-00di-9511000000-2eb56dd9b4f07fcdc2132021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Elastin 40V, Positive-QTOFsplash10-02g9-9400000000-95954a55a52f785e0a752021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Elastin 10V, Negative-QTOFsplash10-0udi-1101190000-8e3476895c43037223502021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Elastin 20V, Negative-QTOFsplash10-004i-6912110000-83876a5d0ac33fff2abc2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Elastin 40V, Negative-QTOFsplash10-052f-9310100000-23359f4448e9f6cf58d82021-10-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID3670708
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound4472335
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Only showing the first 10 proteins. There are 38 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details
1. Protein-lysine 6-oxidase
General function:
Involved in copper ion binding
Specific function:
Responsible for the post-translational oxidative deamination of peptidyl lysine residues in precursors to fibrous collagen and elastin. In addition to cross-linking of extracellular matrix proteins, may have a direct role in tumor suppression.
Gene Name:
LOX
Uniprot ID:
P28300
Molecular weight:
46943.67
Enzyme Details
2. Beta-galactosidase
General function:
Involved in hydrolase activity, hydrolyzing O-glycosyl compounds
Specific function:
Cleaves beta-linked terminal galactosyl residues from gangliosides, glycoproteins, and glycosaminoglycans. Isoform 2 has no beta-galactosidase catalytic activity, but plays functional roles in the formation of extracellular elastic fibers (elastogenesis) and in the development of connective tissue. Seems to be identical to the elastin-binding protein (EBP), a major component of the non-integrin cell surface receptor expressed on fibroblasts, smooth muscle cells, chondroblasts, leukocytes, and certain cancer cell types. In elastin producing cells, associates with tropoelastin intracellularly and functions as a recycling molecular chaperone which facilitates the secretions of tropoelastin and its assembly into elastic fibers.
Gene Name:
GLB1
Uniprot ID:
P16278
Molecular weight:
Not Available
Enzyme Details
3. Chymotrypsin-like elastase family member 1
General function:
Involved in serine-type endopeptidase activity
Specific function:
Acts upon elastin
Gene Name:
CELA1
Uniprot ID:
Q9UNI1
Molecular weight:
27798.0
Enzyme Details
4. Fibrillin-1
General function:
Involved in calcium ion binding
Specific function:
Fibrillins are structural components of 10-12 nm extracellular calcium-binding microfibrils, which occur either in association with elastin or in elastin-free bundles. Fibrillin-1- containing microfibrils provide long-term force bearing structural support
Gene Name:
FBN1
Uniprot ID:
P35555
Molecular weight:
312294.7
Enzyme Details
5. Fibrillin-2
General function:
Involved in calcium ion binding
Specific function:
Fibrillins are structural components of 10-12 nm extracellular calcium-binding microfibrils, which occur either in association with elastin or in elastin-free bundles. Fibrillin-2- containing microfibrils regulate the early process of elastic fiber assembly
Gene Name:
FBN2
Uniprot ID:
P35556
Molecular weight:
314772.2
Enzyme Details
6. Fibrillin-3
General function:
Involved in calcium ion binding
Specific function:
Fibrillins are structural components of 10-12 nm extracellular calcium-binding microfibrils, which occur either in association with elastin or in elastin-free bundles. Fibrillin- containing microfibrils provide long-term force bearing structural support
Gene Name:
FBN3
Uniprot ID:
Q75N90
Molecular weight:
300352.9
Enzyme Details
7. Macrophage metalloelastase
General function:
Involved in metalloendopeptidase activity
Specific function:
May be involved in tissue injury and remodeling. Has significant elastolytic activity. Can accept large and small amino acids at the P1' site, but has a preference for leucine. Aromatic or hydrophobic residues are preferred at the P1 site, with small hydrophobic residues (preferably alanine) occupying P3
Gene Name:
MMP12
Uniprot ID:
P39900
Molecular weight:
54001.2
Enzyme Details
8. Lysyl oxidase homolog 1
General function:
Involved in copper ion binding
Specific function:
Active on elastin and collagen substrates
Gene Name:
LOXL1
Uniprot ID:
Q08397
Molecular weight:
63109.3
Enzyme Details
9. Lysyl oxidase homolog 2
General function:
Involved in copper ion binding
Specific function:
Mediates the post-translational oxidative deamination of lysine residues on target proteins leading to the formation of deaminated lysine (allysine). When secreted in extracellular matrix, promotes cross-linking of extracellular matrix proteins by mediating oxidative deamination of peptidyl lysine residues in precursors to fibrous collagen and elastin. Acts as a regulator of sprouting angiogenesis, probably via collagen IV scaffolding. When nuclear, acts as a transcription corepressor and specifically mediates deamination of trimethylated 'Lys-4' of histone H3 (H3K4me3), a specific tag for epigenetic transcriptional activation. Involved in epithelial to mesenchymal transition (EMT) via interaction with SNAI1 and participates in repression of E-cadherin, probably by mediating deamination of histone H3. Also involved in E-cadherin repression following hypoxia, a hallmark of epithelial to mesenchymal transition believed to amplify tumor aggressiveness, suggesting that it may play a role in tumor progression. Acts as a regulator of chondrocyte differentiation, probably by regulating expression of factors that control chondrocyte differentiation.
Gene Name:
LOXL2
Uniprot ID:
Q9Y4K0
Molecular weight:
86724.305
Enzyme Details
10. Lysyl oxidase homolog 3
General function:
Involved in copper ion binding
Specific function:
Not Available
Gene Name:
LOXL3
Uniprot ID:
P58215
Molecular weight:
83165.9

Only showing the first 10 proteins. There are 38 proteins in total.

Show all enzymes and transporters