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Showing metabocard for Serylserine (HMDB0029048)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2012-09-06 21:03:29 UTC
Update Date2022-09-22 18:34:23 UTC
HMDB IDHMDB0029048
Secondary Accession Numbers
  • HMDB29048
Metabolite Identification
Common NameSerylserine
DescriptionSerylserine, also known as H-L-ser-L-ser-OH or S-S, belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Serylserine has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make serylserine a potential biomarker for the consumption of these foods. Serylserine is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a significant number of articles have been published on Serylserine.
Structure
Data?1582753369
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0029048 (Serylserine)


  Mrv1652304062014122D          

 13 12  0  0  0  0            999 V2000
 2497.7702 2498.9905    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 2497.7702 2497.9831    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2498.4847 2497.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2499.1991 2497.9831    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 2499.9157 2497.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2500.6302 2497.9831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2499.1991 2498.8081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2498.4847 2496.7445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2497.0557 2499.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2496.3413 2498.9905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2497.0557 2500.2269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2498.4847 2499.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2498.4847 2500.2269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6  0  0  0
  1  9  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  1  0  0  0
  5  6  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
Download

3D MOL for HMDB0029048 (Serylserine)

HMDB0029048
     RDKit          3D
Serylserine
 25 24  0  0  0  0  0  0  0  0999 V2000
    2.0399    1.0182    0.8819 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8980    0.3424   -0.4130 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9787   -0.6140   -0.7131 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2224    0.0062   -0.5142 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5754   -0.2887   -0.3748 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250   -1.3822   -1.0444 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5112    0.2881    0.3304 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8040   -0.3867    0.1463 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0711   -1.0254    1.5158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2087   -1.7902    1.4344 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8169    0.7389    0.0701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8580    0.6814    0.7262 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5465    1.8244   -0.7277 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4883    1.9626    0.7317 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6382    0.4120    1.4951 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8629    1.1536   -1.1856 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9587   -0.7652   -1.8511 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9010   -1.5541   -0.2074 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1068    0.8221    0.0346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4207    1.0688    0.9536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8498   -1.0775   -0.6584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3171   -0.1642    2.2180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2204   -1.5803    1.8720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5138   -1.8873    0.4702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9569    2.1971   -1.4888 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  2  0
 11 13  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  6
  3 17  1  0
  3 18  1  0
  4 19  1  0
  7 20  1  0
  8 21  1  6
  9 22  1  0
  9 23  1  0
 10 24  1  0
 13 25  1  0
M  END
Download

3D SDF for HMDB0029048 (Serylserine)


  Mrv1652304062014122D          

 13 12  0  0  0  0            999 V2000
 2497.7702 2498.9905    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 2497.7702 2497.9831    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2498.4847 2497.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2499.1991 2497.9831    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 2499.9157 2497.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2500.6302 2497.9831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2499.1991 2498.8081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2498.4847 2496.7445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2497.0557 2499.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2496.3413 2498.9905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2497.0557 2500.2269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2498.4847 2499.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2498.4847 2500.2269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6  0  0  0
  1  9  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  1  0  0  0
  5  6  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0029048

> <DATABASE_NAME>
hmdb

> <SMILES>
N[C@@H](CO)C(=O)N[C@@H](CO)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H12N2O5/c7-3(1-9)5(11)8-4(2-10)6(12)13/h3-4,9-10H,1-2,7H2,(H,8,11)(H,12,13)/t3-,4-/m0/s1

> <INCHI_KEY>
XZKQVQKUZMAADP-IMJSIDKUSA-N

> <FORMULA>
C6H12N2O5

> <MOLECULAR_WEIGHT>
192.171

> <EXACT_MASS>
192.074621494

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
25

> <JCHEM_AVERAGE_POLARIZABILITY>
17.585256648878136

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxypropanoic acid

> <ALOGPS_LOGP>
-3.40

> <JCHEM_LOGP>
-5.475871775932969

> <ALOGPS_LOGS>
-0.33

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.503420826275487

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.3032377154372656

> <JCHEM_PKA_STRONGEST_BASIC>
7.849237127049587

> <JCHEM_POLAR_SURFACE_AREA>
132.88

> <JCHEM_REFRACTIVITY>
40.8821

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.92e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
L-serine, N-L-seryl-

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0029048 (Serylserine)

HMDB0029048
     RDKit          3D
Serylserine
 25 24  0  0  0  0  0  0  0  0999 V2000
    2.0399    1.0182    0.8819 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8980    0.3424   -0.4130 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9787   -0.6140   -0.7131 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2224    0.0062   -0.5142 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5754   -0.2887   -0.3748 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250   -1.3822   -1.0444 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5112    0.2881    0.3304 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8040   -0.3867    0.1463 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0711   -1.0254    1.5158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2087   -1.7902    1.4344 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8169    0.7389    0.0701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8580    0.6814    0.7262 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5465    1.8244   -0.7277 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4883    1.9626    0.7317 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6382    0.4120    1.4951 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8629    1.1536   -1.1856 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9587   -0.7652   -1.8511 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9010   -1.5541   -0.2074 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1068    0.8221    0.0346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4207    1.0688    0.9536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8498   -1.0775   -0.6584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3171   -0.1642    2.2180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2204   -1.5803    1.8720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5138   -1.8873    0.4702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9569    2.1971   -1.4888 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  2  0
 11 13  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  6
  3 17  1  0
  3 18  1  0
  4 19  1  0
  7 20  1  0
  8 21  1  6
  9 22  1  0
  9 23  1  0
 10 24  1  0
 13 25  1  0
M  END
Download

PDB for HMDB0029048 (Serylserine)

HEADER    PROTEIN                                 06-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-APR-20         0                                  
HETATM    1  C   UNK     0    4662.5044664.782   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0    4662.5044662.902   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0    4663.8384662.130   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    4665.1724662.902   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0    4666.5094662.130   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0    4667.8434662.902   0.000  0.00  0.00           O+0
HETATM    7  N   UNK     0    4665.1724664.442   0.000  0.00  0.00           N+0
HETATM    8  O   UNK     0    4663.8384660.590   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0    4661.1714665.550   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0    4659.8374664.782   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0    4661.1714667.090   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0    4663.8384665.550   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0    4663.8384667.090   0.000  0.00  0.00           O+0
CONECT    1    2    9   12                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5    7                                                  
CONECT    5    4    6                                                       
CONECT    6    5                                                            
CONECT    7    4                                                            
CONECT    8    3                                                            
CONECT    9    1   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12    1   13                                                       
CONECT   13   12                                                            
MASTER        0    0    0    0    0    0    0    0   13    0   24    0
END
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3D PDB for HMDB0029048 (Serylserine)

COMPND    HMDB0029048
HETATM    1  N1  UNL     1       2.040   1.018   0.882  1.00  0.00           N  
HETATM    2  C1  UNL     1       1.898   0.342  -0.413  1.00  0.00           C  
HETATM    3  C2  UNL     1       2.979  -0.614  -0.713  1.00  0.00           C  
HETATM    4  O1  UNL     1       4.222   0.006  -0.514  1.00  0.00           O  
HETATM    5  C3  UNL     1       0.575  -0.289  -0.375  1.00  0.00           C  
HETATM    6  O2  UNL     1       0.425  -1.382  -1.044  1.00  0.00           O  
HETATM    7  N2  UNL     1      -0.511   0.288   0.330  1.00  0.00           N  
HETATM    8  C4  UNL     1      -1.804  -0.387   0.146  1.00  0.00           C  
HETATM    9  C5  UNL     1      -2.071  -1.025   1.516  1.00  0.00           C  
HETATM   10  O3  UNL     1      -3.209  -1.790   1.434  1.00  0.00           O  
HETATM   11  C6  UNL     1      -2.817   0.739   0.070  1.00  0.00           C  
HETATM   12  O4  UNL     1      -3.858   0.681   0.726  1.00  0.00           O  
HETATM   13  O5  UNL     1      -2.547   1.824  -0.728  1.00  0.00           O  
HETATM   14  H1  UNL     1       2.488   1.963   0.732  1.00  0.00           H  
HETATM   15  H2  UNL     1       2.638   0.412   1.495  1.00  0.00           H  
HETATM   16  H3  UNL     1       1.863   1.154  -1.186  1.00  0.00           H  
HETATM   17  H4  UNL     1       2.959  -0.765  -1.851  1.00  0.00           H  
HETATM   18  H5  UNL     1       2.901  -1.554  -0.207  1.00  0.00           H  
HETATM   19  H6  UNL     1       4.107   0.822   0.035  1.00  0.00           H  
HETATM   20  H7  UNL     1      -0.421   1.069   0.954  1.00  0.00           H  
HETATM   21  H8  UNL     1      -1.850  -1.078  -0.658  1.00  0.00           H  
HETATM   22  H9  UNL     1      -2.317  -0.164   2.218  1.00  0.00           H  
HETATM   23  H10 UNL     1      -1.220  -1.580   1.872  1.00  0.00           H  
HETATM   24  H11 UNL     1      -3.514  -1.887   0.470  1.00  0.00           H  
HETATM   25  H12 UNL     1      -2.957   2.197  -1.489  1.00  0.00           H  
CONECT    1    2   14   15
CONECT    2    3    5   16
CONECT    3    4   17   18
CONECT    4   19
CONECT    5    6    6    7
CONECT    7    8   20
CONECT    8    9   11   21
CONECT    9   10   22   23
CONECT   10   24
CONECT   11   12   12   13
CONECT   13   25
END
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SMILES for HMDB0029048 (Serylserine)

N[C@@H](CO)C(=O)N[C@@H](CO)C(O)=O
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INCHI for HMDB0029048 (Serylserine)

InChI=1S/C6H12N2O5/c7-3(1-9)5(11)8-4(2-10)6(12)13/h3-4,9-10H,1-2,7H2,(H,8,11)(H,12,13)/t3-,4-/m0/s1
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
H-L-Ser-L-ser-OHChEBI
H-Ser-ser-OHChEBI
L-Ser-L-serChEBI
S-SChEBI
SSChEBI
(2S)-2-{[(2S)-2-amino-1,3-dihydroxypropylidene]amino}-3-hydroxypropanoateHMDB
L-Seryl-L-serineHMDB
N-L-Seryl-L-serineHMDB
N-SerylserineHMDB
S-S DipeptideHMDB
SS DipeptideHMDB
Ser-serHMDB
Serine serine dipeptideHMDB
Serine-serine dipeptideHMDB
Serinyl-serineHMDB
SerinylserineHMDB
Seryl-serineHMDB
SerylserineChEBI
Chemical FormulaC6H12N2O5
Average Molecular Weight192.171
Monoisotopic Molecular Weight192.074621494
IUPAC Name(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxypropanoic acid
Traditional NameL-serine, N-L-seryl-
CAS Registry Number6620-95-7
SMILES
N[C@@H](CO)C(=O)N[C@@H](CO)C(O)=O
InChI Identifier
InChI=1S/C6H12N2O5/c7-3(1-9)5(11)8-4(2-10)6(12)13/h3-4,9-10H,1-2,7H2,(H,8,11)(H,12,13)/t3-,4-/m0/s1
InChI KeyXZKQVQKUZMAADP-IMJSIDKUSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentDipeptides
Alternative Parents
Substituents
  • Alpha-dipeptide
  • N-acyl-l-alpha-amino acid
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Serine or derivatives
  • Alpha-amino acid or derivatives
  • Beta-hydroxy acid
  • Hydroxy acid
  • Amino acid or derivatives
  • Amino acid
  • Carboxamide group
  • Carboxylic acid salt
  • Secondary carboxylic acid amide
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Alcohol
  • Organonitrogen compound
  • Organooxygen compound
  • Primary alcohol
  • Primary aliphatic amine
  • Primary amine
  • Organic zwitterion
  • Organic salt
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Organopnictogen compound
  • Amine
  • Organic oxygen compound
  • Organic nitrogen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Source
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP-5.48Extrapolated
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility89.2 g/LALOGPS
logP-3.4ALOGPS
logP-5.5ChemAxon
logS-0.33ALOGPS
pKa (Strongest Acidic)3.3ChemAxon
pKa (Strongest Basic)7.85ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area132.88 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity40.88 m³·mol⁻¹ChemAxon
Polarizability17.59 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+138.48330932474
DeepCCS[M-H]-136.08830932474
DeepCCS[M-2H]-169.96830932474
DeepCCS[M+Na]+144.5830932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
SerylserineN[C@@H](CO)C(=O)N[C@@H](CO)C(O)=O2919.7Standard polar33892256
SerylserineN[C@@H](CO)C(=O)N[C@@H](CO)C(O)=O1775.2Standard non polar33892256
SerylserineN[C@@H](CO)C(=O)N[C@@H](CO)C(O)=O2073.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Serylserine,1TMS,isomer #1C[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CO)C(=O)O1863.0Semi standard non polar33892256
Serylserine,1TMS,isomer #2C[Si](C)(C)OC[C@H](NC(=O)[C@@H](N)CO)C(=O)O1893.4Semi standard non polar33892256
Serylserine,1TMS,isomer #3C[Si](C)(C)OC(=O)[C@H](CO)NC(=O)[C@@H](N)CO1871.8Semi standard non polar33892256
Serylserine,1TMS,isomer #4C[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O1928.4Semi standard non polar33892256
Serylserine,1TMS,isomer #5C[Si](C)(C)N(C(=O)[C@@H](N)CO)[C@@H](CO)C(=O)O1849.5Semi standard non polar33892256
Serylserine,2TMS,isomer #1C[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CO[Si](C)(C)C)C(=O)O1858.7Semi standard non polar33892256
Serylserine,2TMS,isomer #10C[Si](C)(C)N([C@@H](CO)C(=O)N[C@@H](CO)C(=O)O)[Si](C)(C)C2063.6Semi standard non polar33892256
Serylserine,2TMS,isomer #11C[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CO)C(=O)O)[Si](C)(C)C1916.2Semi standard non polar33892256
Serylserine,2TMS,isomer #2C[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CO)C(=O)O[Si](C)(C)C1899.9Semi standard non polar33892256
Serylserine,2TMS,isomer #3C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N[C@@H](CO)C(=O)O1938.6Semi standard non polar33892256
Serylserine,2TMS,isomer #4C[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CO)C(=O)O)[Si](C)(C)C1853.0Semi standard non polar33892256
Serylserine,2TMS,isomer #5C[Si](C)(C)OC[C@H](NC(=O)[C@@H](N)CO)C(=O)O[Si](C)(C)C1875.8Semi standard non polar33892256
Serylserine,2TMS,isomer #6C[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CO[Si](C)(C)C)C(=O)O1935.5Semi standard non polar33892256
Serylserine,2TMS,isomer #7C[Si](C)(C)OC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CO)[Si](C)(C)C1890.4Semi standard non polar33892256
Serylserine,2TMS,isomer #8C[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O[Si](C)(C)C1958.3Semi standard non polar33892256
Serylserine,2TMS,isomer #9C[Si](C)(C)OC(=O)[C@H](CO)N(C(=O)[C@@H](N)CO)[Si](C)(C)C1840.5Semi standard non polar33892256
Serylserine,3TMS,isomer #1C[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CO[Si](C)(C)C)C(=O)O[Si](C)(C)C1907.6Semi standard non polar33892256
Serylserine,3TMS,isomer #10C[Si](C)(C)OC[C@H](NC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2083.3Semi standard non polar33892256
Serylserine,3TMS,isomer #11C[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CO[Si](C)(C)C)C(=O)O)[Si](C)(C)C1960.2Semi standard non polar33892256
Serylserine,3TMS,isomer #12C[Si](C)(C)OC(=O)[C@H](CO)NC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C2091.8Semi standard non polar33892256
Serylserine,3TMS,isomer #13C[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CO)C(=O)O[Si](C)(C)C)[Si](C)(C)C1929.5Semi standard non polar33892256
Serylserine,3TMS,isomer #14C[Si](C)(C)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CO)C(=O)O2026.7Semi standard non polar33892256
Serylserine,3TMS,isomer #2C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N[C@@H](CO[Si](C)(C)C)C(=O)O1949.1Semi standard non polar33892256
Serylserine,3TMS,isomer #3C[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CO[Si](C)(C)C)C(=O)O)[Si](C)(C)C1904.1Semi standard non polar33892256
Serylserine,3TMS,isomer #4C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N[C@@H](CO)C(=O)O[Si](C)(C)C1980.1Semi standard non polar33892256
Serylserine,3TMS,isomer #5C[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CO)C(=O)O[Si](C)(C)C)[Si](C)(C)C1890.6Semi standard non polar33892256
Serylserine,3TMS,isomer #6C[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CO)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2097.5Semi standard non polar33892256
Serylserine,3TMS,isomer #7C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N([C@@H](CO)C(=O)O)[Si](C)(C)C1934.8Semi standard non polar33892256
Serylserine,3TMS,isomer #8C[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CO[Si](C)(C)C)C(=O)O[Si](C)(C)C1972.5Semi standard non polar33892256
Serylserine,3TMS,isomer #9C[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CO)[Si](C)(C)C1887.3Semi standard non polar33892256
Serylserine,4TMS,isomer #1C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N[C@@H](CO[Si](C)(C)C)C(=O)O[Si](C)(C)C1972.2Semi standard non polar33892256
Serylserine,4TMS,isomer #1C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N[C@@H](CO[Si](C)(C)C)C(=O)O[Si](C)(C)C2019.9Standard non polar33892256
Serylserine,4TMS,isomer #10C[Si](C)(C)OC[C@@H](C(=O)O)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2090.5Semi standard non polar33892256
Serylserine,4TMS,isomer #10C[Si](C)(C)OC[C@@H](C(=O)O)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2129.0Standard non polar33892256
Serylserine,4TMS,isomer #11C[Si](C)(C)OC(=O)[C@H](CO)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2062.7Semi standard non polar33892256
Serylserine,4TMS,isomer #11C[Si](C)(C)OC(=O)[C@H](CO)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2098.4Standard non polar33892256
Serylserine,4TMS,isomer #2C[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C1948.2Semi standard non polar33892256
Serylserine,4TMS,isomer #2C[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C1992.1Standard non polar33892256
Serylserine,4TMS,isomer #3C[Si](C)(C)OC[C@H](NC(=O)[C@H](CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2105.6Semi standard non polar33892256
Serylserine,4TMS,isomer #3C[Si](C)(C)OC[C@H](NC(=O)[C@H](CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2110.9Standard non polar33892256
Serylserine,4TMS,isomer #4C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N([C@@H](CO[Si](C)(C)C)C(=O)O)[Si](C)(C)C1974.6Semi standard non polar33892256
Serylserine,4TMS,isomer #4C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N([C@@H](CO[Si](C)(C)C)C(=O)O)[Si](C)(C)C2052.5Standard non polar33892256
Serylserine,4TMS,isomer #5C[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CO)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2115.3Semi standard non polar33892256
Serylserine,4TMS,isomer #5C[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CO)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2079.8Standard non polar33892256
Serylserine,4TMS,isomer #6C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N([C@@H](CO)C(=O)O[Si](C)(C)C)[Si](C)(C)C1966.4Semi standard non polar33892256
Serylserine,4TMS,isomer #6C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N([C@@H](CO)C(=O)O[Si](C)(C)C)[Si](C)(C)C2036.6Standard non polar33892256
Serylserine,4TMS,isomer #7C[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CO)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2074.3Semi standard non polar33892256
Serylserine,4TMS,isomer #7C[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CO)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2126.8Standard non polar33892256
Serylserine,4TMS,isomer #8C[Si](C)(C)OC[C@H](NC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2083.6Semi standard non polar33892256
Serylserine,4TMS,isomer #8C[Si](C)(C)OC[C@H](NC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2083.5Standard non polar33892256
Serylserine,4TMS,isomer #9C[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C1980.4Semi standard non polar33892256
Serylserine,4TMS,isomer #9C[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2011.8Standard non polar33892256
Serylserine,5TMS,isomer #1C[Si](C)(C)OC[C@H](NC(=O)[C@H](CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2084.7Semi standard non polar33892256
Serylserine,5TMS,isomer #1C[Si](C)(C)OC[C@H](NC(=O)[C@H](CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2138.1Standard non polar33892256
Serylserine,5TMS,isomer #2C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N([C@@H](CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C1991.8Semi standard non polar33892256
Serylserine,5TMS,isomer #2C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N([C@@H](CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2088.7Standard non polar33892256
Serylserine,5TMS,isomer #3C[Si](C)(C)OC[C@@H](C(=O)O)N(C(=O)[C@H](CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2146.4Semi standard non polar33892256
Serylserine,5TMS,isomer #3C[Si](C)(C)OC[C@@H](C(=O)O)N(C(=O)[C@H](CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2175.9Standard non polar33892256
Serylserine,5TMS,isomer #4C[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CO)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2128.6Semi standard non polar33892256
Serylserine,5TMS,isomer #4C[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CO)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2165.1Standard non polar33892256
Serylserine,5TMS,isomer #5C[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2135.2Semi standard non polar33892256
Serylserine,5TMS,isomer #5C[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2158.5Standard non polar33892256
Serylserine,6TMS,isomer #1C[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2192.5Semi standard non polar33892256
Serylserine,6TMS,isomer #1C[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2209.1Standard non polar33892256
Serylserine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CO)C(=O)O2141.9Semi standard non polar33892256
Serylserine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H](NC(=O)[C@@H](N)CO)C(=O)O2155.5Semi standard non polar33892256
Serylserine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)NC(=O)[C@@H](N)CO2138.8Semi standard non polar33892256
Serylserine,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O2215.1Semi standard non polar33892256
Serylserine,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CO)[C@@H](CO)C(=O)O2138.4Semi standard non polar33892256
Serylserine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O2343.4Semi standard non polar33892256
Serylserine,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)N([C@@H](CO)C(=O)N[C@@H](CO)C(=O)O)[Si](C)(C)C(C)(C)C2549.4Semi standard non polar33892256
Serylserine,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CO)C(=O)O)[Si](C)(C)C(C)(C)C2412.1Semi standard non polar33892256
Serylserine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C2371.0Semi standard non polar33892256
Serylserine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)O2392.8Semi standard non polar33892256
Serylserine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CO)C(=O)O)[Si](C)(C)C(C)(C)C2350.7Semi standard non polar33892256
Serylserine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H](NC(=O)[C@@H](N)CO)C(=O)O[Si](C)(C)C(C)(C)C2348.4Semi standard non polar33892256
Serylserine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O2398.5Semi standard non polar33892256
Serylserine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CO)[Si](C)(C)C(C)(C)C2368.1Semi standard non polar33892256
Serylserine,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C2412.8Semi standard non polar33892256
Serylserine,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)N(C(=O)[C@@H](N)CO)[Si](C)(C)C(C)(C)C2334.4Semi standard non polar33892256
Serylserine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2564.9Semi standard non polar33892256
Serylserine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC[C@H](NC(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2766.9Semi standard non polar33892256
Serylserine,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2647.1Semi standard non polar33892256
Serylserine,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)NC(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2774.4Semi standard non polar33892256
Serylserine,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2633.2Semi standard non polar33892256
Serylserine,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CO)C(=O)O2742.6Semi standard non polar33892256
Serylserine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O2592.4Semi standard non polar33892256
Serylserine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2587.3Semi standard non polar33892256
Serylserine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C2611.4Semi standard non polar33892256
Serylserine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2572.3Semi standard non polar33892256
Serylserine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CO)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2768.2Semi standard non polar33892256
Serylserine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CO)C(=O)O)[Si](C)(C)C(C)(C)C2626.3Semi standard non polar33892256
Serylserine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2612.6Semi standard non polar33892256
Serylserine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CO)[Si](C)(C)C(C)(C)C2574.9Semi standard non polar33892256
Serylserine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2818.4Semi standard non polar33892256
Serylserine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2746.3Standard non polar33892256
Serylserine,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O)N(C(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2984.9Semi standard non polar33892256
Serylserine,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O)N(C(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2827.2Standard non polar33892256
Serylserine,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)N(C(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2950.9Semi standard non polar33892256
Serylserine,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)N(C(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2827.6Standard non polar33892256
Serylserine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2803.2Semi standard non polar33892256
Serylserine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2742.4Standard non polar33892256
Serylserine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H](NC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2998.1Semi standard non polar33892256
Serylserine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H](NC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2807.7Standard non polar33892256
Serylserine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2841.2Semi standard non polar33892256
Serylserine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2758.9Standard non polar33892256
Serylserine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3001.3Semi standard non polar33892256
Serylserine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2799.5Standard non polar33892256
Serylserine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2830.1Semi standard non polar33892256
Serylserine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2765.1Standard non polar33892256
Serylserine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CO)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2977.5Semi standard non polar33892256
Serylserine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CO)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2828.0Standard non polar33892256
Serylserine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC[C@H](NC(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2989.1Semi standard non polar33892256
Serylserine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC[C@H](NC(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2807.6Standard non polar33892256
Serylserine,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2843.8Semi standard non polar33892256
Serylserine,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2749.0Standard non polar33892256
Serylserine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H](NC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3205.9Semi standard non polar33892256
Serylserine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H](NC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2981.3Standard non polar33892256
Serylserine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3042.1Semi standard non polar33892256
Serylserine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2940.4Standard non polar33892256
Serylserine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O)N(C(=O)[C@H](CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3201.7Semi standard non polar33892256
Serylserine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O)N(C(=O)[C@H](CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3015.3Standard non polar33892256
Serylserine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3180.3Semi standard non polar33892256
Serylserine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3029.4Standard non polar33892256
Serylserine,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3177.7Semi standard non polar33892256
Serylserine,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3029.2Standard non polar33892256
Serylserine,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3438.7Semi standard non polar33892256
Serylserine,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3208.9Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Serylserine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Serylserine 10V, Positive-QTOFsplash10-01tc-5900000000-a45243c43945dbd2e9822019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Serylserine 20V, Positive-QTOFsplash10-03di-9400000000-55bb53f88f5b992104382019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Serylserine 40V, Positive-QTOFsplash10-0006-9000000000-d41d6623979c159ec9352019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Serylserine 10V, Negative-QTOFsplash10-01ox-0900000000-cb44a137581c072567ef2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Serylserine 20V, Negative-QTOFsplash10-03mv-2900000000-b2f2608daed8f477aa682019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Serylserine 40V, Negative-QTOFsplash10-0a4l-9100000000-f5e94186198db822996f2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Serylserine 10V, Positive-QTOFsplash10-0btc-4900000000-319f81bc5a65d28953a12021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Serylserine 20V, Positive-QTOFsplash10-03di-9100000000-0b2579ddaf96b34f62b92021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Serylserine 40V, Positive-QTOFsplash10-03dl-9000000000-d8c29fe92e027a3c30cd2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Serylserine 10V, Negative-QTOFsplash10-006x-2900000000-7beeec871e2162a3852a2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Serylserine 20V, Negative-QTOFsplash10-00di-9200000000-4782d9a93fe0d28ab3f62021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Serylserine 40V, Negative-QTOFsplash10-0596-9000000000-46e7e9ec9081b97500bc2021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedCancer patients undergoing total body irradiation details
UrineDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedCancer patients undergoing total body irradiation details
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB112055
KNApSAcK IDNot Available
Chemspider ID5382072
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound7019104
PDB IDNot Available
ChEBI ID73653
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. Golimbet VE, Lebedeva IS, Monakhov MV, Korovaitseva GI, Lezheiko TV, Abramova LI, Kaleda VG, Karpov VL: [The Cys allele of the DRD2 (Ser311Cys polymorphism) is associated with schizophrenia and worse sustained attention in patients]. Zh Nevrol Psikhiatr Im S S Korsakova. 2009;109(9):67-70. [PubMed:19770837 ]
  2. Kawanabe Y, Okamoto Y, Hashimoto N, Masaki T: Molecular mechanisms for activation of voltage-independent Ca2+ channels by endothelin-1/endothelin-A receptors. J Cardiovasc Pharmacol. 2004 Nov;44 Suppl 1:S219-23. [PubMed:15838284 ]
  3. Dupraz P, Oertle S, Meric C, Damay P, Spahr PF: Point mutations in the proximal Cys-His box of Rous sarcoma virus nucleocapsid protein. J Virol. 1990 Oct;64(10):4978-87. [PubMed:2168981 ]