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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-06 21:03:26 UTC

Update Date

2021-09-14 15:41:43 UTC

HMDB ID

HMDB0029034

Secondary Accession Numbers

HMDB29034

Metabolite Identification

Common Name

Serylasparagine

Description

Serylasparagine, also known as L-ser-L-asn or S-N dipeptide, 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. Serylasparagine 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 serylasparagine a potential biomarker for the consumption of these foods. Serylasparagine 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 very few articles have been published on Serylasparagine.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv1652304062014102D          

 15 14  0  0  0  0            999 V2000
 2501.2710 2500.2931    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 2501.2710 2501.1184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2501.9837 2501.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2502.6987 2501.1184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2501.9837 2502.3576    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 2501.2710 2502.7692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2500.5562 2502.3576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2502.6987 2502.7692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2500.5542 2499.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2499.8394 2500.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2499.1244 2499.8813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2499.8394 2501.1184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2501.9857 2499.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2502.7008 2500.2931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2501.9857 2499.0560    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 13  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  5  3  1  6  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0029034

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C7H13N3O5/c8-3(2-11)6(13)10-4(7(14)15)1-5(9)12/h3-4,11H,1-2,8H2,(H2,9,12)(H,10,13)(H,14,15)/t3-,4-/m0/s1

> <INCHI_KEY>
LTFSLKWFMWZEBD-IMJSIDKUSA-N

> <FORMULA>
C7H13N3O5

> <MOLECULAR_WEIGHT>
219.197

> <EXACT_MASS>
219.085520531

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_POLARIZABILITY>
19.74540712522511

> <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-carbamoylpropanoic acid

> <ALOGPS_LOGP>
-3.46

> <JCHEM_LOGP>
-5.877624168712893

> <ALOGPS_LOGS>
-1.01

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.91677930124819

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.3284817794396697

> <JCHEM_PKA_STRONGEST_BASIC>
7.84931661525536

> <JCHEM_POLAR_SURFACE_AREA>
155.73999999999998

> <JCHEM_REFRACTIVITY>
47.196000000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.13e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-carbamoylpropanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

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    4669.0394667.214   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0    4669.0394668.754   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0    4670.3704669.527   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0    4671.7044668.754   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0    4670.3704671.068   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    4669.0394671.836   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0    4667.7054671.068   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0    4671.7044671.836   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0    4667.7014666.445   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    4666.3674667.214   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0    4665.0324666.445   0.000  0.00  0.00           N+0
HETATM   12  O   UNK     0    4666.3674668.754   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0    4670.3734666.445   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0    4671.7084667.214   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0    4670.3734664.905   0.000  0.00  0.00           O+0
CONECT    1    2    9   13                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6    8                                                  
CONECT    6    5    7                                                       
CONECT    7    6                                                            
CONECT    8    5                                                            
CONECT    9    1   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10                                                            
CONECT   13    1   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
MASTER        0    0    0    0    0    0    0    0   15    0   28    0
END

COMPND    HMDB0029034
HETATM    1  N1  UNL     1       3.659  -1.620  -0.045  1.00  0.00           N  
HETATM    2  C1  UNL     1       2.347  -1.438   0.484  1.00  0.00           C  
HETATM    3  O1  UNL     1       1.477  -2.316   0.363  1.00  0.00           O  
HETATM    4  C2  UNL     1       2.004  -0.179   1.194  1.00  0.00           C  
HETATM    5  C3  UNL     1       1.210   0.707   0.267  1.00  0.00           C  
HETATM    6  N2  UNL     1      -0.015   0.116  -0.179  1.00  0.00           N  
HETATM    7  C4  UNL     1      -1.225   0.824   0.013  1.00  0.00           C  
HETATM    8  O2  UNL     1      -1.243   1.974   0.572  1.00  0.00           O  
HETATM    9  C5  UNL     1      -2.567   0.324  -0.403  1.00  0.00           C  
HETATM   10  N3  UNL     1      -2.373  -0.976  -0.984  1.00  0.00           N  
HETATM   11  C6  UNL     1      -3.477   0.222   0.791  1.00  0.00           C  
HETATM   12  O3  UNL     1      -4.696  -0.295   0.355  1.00  0.00           O  
HETATM   13  C7  UNL     1       2.120   1.049  -0.862  1.00  0.00           C  
HETATM   14  O4  UNL     1       1.793   0.826  -2.033  1.00  0.00           O  
HETATM   15  O5  UNL     1       3.339   1.621  -0.536  1.00  0.00           O  
HETATM   16  H1  UNL     1       4.368  -0.869   0.079  1.00  0.00           H  
HETATM   17  H2  UNL     1       3.930  -2.485  -0.553  1.00  0.00           H  
HETATM   18  H3  UNL     1       2.935   0.390   1.441  1.00  0.00           H  
HETATM   19  H4  UNL     1       1.484  -0.423   2.136  1.00  0.00           H  
HETATM   20  H5  UNL     1       1.009   1.691   0.774  1.00  0.00           H  
HETATM   21  H6  UNL     1      -0.043  -0.812  -0.636  1.00  0.00           H  
HETATM   22  H7  UNL     1      -3.002   1.031  -1.158  1.00  0.00           H  
HETATM   23  H8  UNL     1      -1.718  -0.973  -1.789  1.00  0.00           H  
HETATM   24  H9  UNL     1      -3.266  -1.476  -1.182  1.00  0.00           H  
HETATM   25  H10 UNL     1      -3.594   1.256   1.221  1.00  0.00           H  
HETATM   26  H11 UNL     1      -3.026  -0.429   1.546  1.00  0.00           H  
HETATM   27  H12 UNL     1      -4.904   0.148  -0.497  1.00  0.00           H  
HETATM   28  H13 UNL     1       3.475   2.112   0.343  1.00  0.00           H  
CONECT    1    2   16   17
CONECT    2    3    3    4
CONECT    4    5   18   19
CONECT    5    6   13   20
CONECT    6    7   21
CONECT    7    8    8    9
CONECT    9   10   11   22
CONECT   10   23   24
CONECT   11   12   25   26
CONECT   12   27
CONECT   13   14   14   15
CONECT   15   28
END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
L-Ser-L-asn	ChEBI
Serinyl-asparagine	ChEBI
SN	ChEBI
L-Seryl-L-asparagine	HMDB
N2-L-Seryl-L-asparagine	HMDB
N2-Serylasparagine	HMDB
S-N Dipeptide	HMDB
sn Dipeptide	HMDB
Ser-asn	HMDB
Serine asparagine dipeptide	HMDB
Serine-asparagine dipeptide	HMDB
Serinylasparagine	HMDB
Seryl-asparagine	HMDB
Serylasparagine	ChEBI

Chemical Formula

C₇H₁₃N₃O₅

Average Molecular Weight

219.197

Monoisotopic Molecular Weight

219.085520531

IUPAC Name

(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-carbamoylpropanoic acid

Traditional Name

(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-carbamoylpropanoic acid

CAS Registry Number

81466-41-3

SMILES

N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(O)=O

InChI Identifier

InChI=1S/C7H13N3O5/c8-3(2-11)6(13)10-4(7(14)15)1-5(9)12/h3-4,11H,1-2,8H2,(H2,9,12)(H,10,13)(H,14,15)/t3-,4-/m0/s1

InChI Key

LTFSLKWFMWZEBD-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.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Dipeptides

Alternative Parents

Substituents

Alpha-dipeptide
Asparagine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
N-acyl-l-alpha-amino acid
Alpha-amino acid amide
Serine or derivatives
Alpha-amino acid or derivatives
Fatty amide
Fatty acid
Fatty acyl
Amino acid or derivatives
Carboxamide group
Carboxylic acid salt
Amino acid
Primary carboxylic acid amide
Secondary carboxylic acid amide
Carboxylic acid
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Organonitrogen compound
Organic oxygen compound
Organic oxide
Organooxygen compound
Primary aliphatic amine
Organopnictogen compound
Primary alcohol
Organic nitrogen compound
Carbonyl group
Primary amine
Amine
Alcohol
Organic zwitterion
Organic salt
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

dipeptide (CHEBI:74802 )

Ontology

Not Available

Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)
Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)

Equine

Horse (FooDB: FOOD00378)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	-5.88	Extrapolated

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	21.3 g/L	ALOGPS
logP	-3.5	ALOGPS
logP	-5.9	ChemAxon
logS	-1	ALOGPS
pKa (Strongest Acidic)	3.33	ChemAxon
pKa (Strongest Basic)	7.85	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	155.74 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	47.2 m³·mol⁻¹	ChemAxon
Polarizability	19.75 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	148.735	30932474
DeepCCS	[M-H]-	146.34	30932474
DeepCCS	[M-2H]-	179.494	30932474
DeepCCS	[M+Na]+	154.648	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Serylasparagine	N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(O)=O	2944.0	Standard polar	33892256
Serylasparagine	N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(O)=O	1989.1	Standard non polar	33892256
Serylasparagine	N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(O)=O	2459.8	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Serylasparagine,1TMS,isomer #1	C[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O	2153.4	Semi standard non polar	33892256
Serylasparagine,1TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO	2146.3	Semi standard non polar	33892256
Serylasparagine,1TMS,isomer #3	C[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)O	2194.3	Semi standard non polar	33892256
Serylasparagine,1TMS,isomer #4	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CO)C(=O)O	2248.4	Semi standard non polar	33892256
Serylasparagine,1TMS,isomer #5	C[Si](C)(C)N(C(=O)[C@@H](N)CO)[C@@H](CC(N)=O)C(=O)O	2142.6	Semi standard non polar	33892256
Serylasparagine,2TMS,isomer #1	C[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C	2141.3	Semi standard non polar	33892256
Serylasparagine,2TMS,isomer #10	C[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C	2214.7	Semi standard non polar	33892256
Serylasparagine,2TMS,isomer #11	C[Si](C)(C)N(C(=O)C[C@H](NC(=O)[C@@H](N)CO)C(=O)O)[Si](C)(C)C	2384.4	Semi standard non polar	33892256
Serylasparagine,2TMS,isomer #12	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CO)[Si](C)(C)C	2200.7	Semi standard non polar	33892256
Serylasparagine,2TMS,isomer #2	C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O	2186.7	Semi standard non polar	33892256
Serylasparagine,2TMS,isomer #3	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CO[Si](C)(C)C)C(=O)O	2210.8	Semi standard non polar	33892256
Serylasparagine,2TMS,isomer #4	C[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C	2171.6	Semi standard non polar	33892256
Serylasparagine,2TMS,isomer #5	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CO)C(=O)O[Si](C)(C)C	2227.2	Semi standard non polar	33892256
Serylasparagine,2TMS,isomer #6	C[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C	2213.3	Semi standard non polar	33892256
Serylasparagine,2TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@@H](N)CO)[Si](C)(C)C	2151.1	Semi standard non polar	33892256
Serylasparagine,2TMS,isomer #8	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CO)N[Si](C)(C)C)C(=O)O	2279.1	Semi standard non polar	33892256
Serylasparagine,2TMS,isomer #9	C[Si](C)(C)N([C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C	2319.8	Semi standard non polar	33892256
Serylasparagine,3TMS,isomer #1	C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C	2199.0	Semi standard non polar	33892256
Serylasparagine,3TMS,isomer #1	C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C	2185.2	Standard non polar	33892256
Serylasparagine,3TMS,isomer #10	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H](N)CO	2342.9	Semi standard non polar	33892256
Serylasparagine,3TMS,isomer #10	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H](N)CO	2235.7	Standard non polar	33892256
Serylasparagine,3TMS,isomer #11	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CO)[Si](C)(C)C	2197.9	Semi standard non polar	33892256
Serylasparagine,3TMS,isomer #11	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CO)[Si](C)(C)C	2283.6	Standard non polar	33892256
Serylasparagine,3TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C	2356.3	Semi standard non polar	33892256
Serylasparagine,3TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C	2272.7	Standard non polar	33892256
Serylasparagine,3TMS,isomer #13	C[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2220.1	Semi standard non polar	33892256
Serylasparagine,3TMS,isomer #13	C[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2195.3	Standard non polar	33892256
Serylasparagine,3TMS,isomer #14	C[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2387.6	Semi standard non polar	33892256
Serylasparagine,3TMS,isomer #14	C[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2306.5	Standard non polar	33892256
Serylasparagine,3TMS,isomer #15	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CO)N[Si](C)(C)C)[Si](C)(C)C	2259.0	Semi standard non polar	33892256
Serylasparagine,3TMS,isomer #15	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CO)N[Si](C)(C)C)[Si](C)(C)C	2320.2	Standard non polar	33892256
Serylasparagine,3TMS,isomer #16	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2388.4	Semi standard non polar	33892256
Serylasparagine,3TMS,isomer #16	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2371.6	Standard non polar	33892256
Serylasparagine,3TMS,isomer #17	C[Si](C)(C)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(N)=O)C(=O)O	2315.7	Semi standard non polar	33892256
Serylasparagine,3TMS,isomer #17	C[Si](C)(C)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(N)=O)C(=O)O	2290.4	Standard non polar	33892256
Serylasparagine,3TMS,isomer #18	C[Si](C)(C)N(C(=O)[C@@H](N)CO)[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2288.9	Semi standard non polar	33892256
Serylasparagine,3TMS,isomer #18	C[Si](C)(C)N(C(=O)[C@@H](N)CO)[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2354.8	Standard non polar	33892256
Serylasparagine,3TMS,isomer #2	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C	2227.3	Semi standard non polar	33892256
Serylasparagine,3TMS,isomer #2	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C	2208.9	Standard non polar	33892256
Serylasparagine,3TMS,isomer #3	C[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2166.4	Semi standard non polar	33892256
Serylasparagine,3TMS,isomer #3	C[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2138.6	Standard non polar	33892256
Serylasparagine,3TMS,isomer #4	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CO[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2277.4	Semi standard non polar	33892256
Serylasparagine,3TMS,isomer #4	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CO[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2325.7	Standard non polar	33892256
Serylasparagine,3TMS,isomer #5	C[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2350.9	Semi standard non polar	33892256
Serylasparagine,3TMS,isomer #5	C[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2273.3	Standard non polar	33892256
Serylasparagine,3TMS,isomer #6	C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C	2219.6	Semi standard non polar	33892256
Serylasparagine,3TMS,isomer #6	C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C	2215.0	Standard non polar	33892256
Serylasparagine,3TMS,isomer #7	C[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2331.2	Semi standard non polar	33892256
Serylasparagine,3TMS,isomer #7	C[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2309.5	Standard non polar	33892256
Serylasparagine,3TMS,isomer #8	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CO[Si](C)(C)C)[Si](C)(C)C	2199.3	Semi standard non polar	33892256
Serylasparagine,3TMS,isomer #8	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CO[Si](C)(C)C)[Si](C)(C)C	2279.1	Standard non polar	33892256
Serylasparagine,3TMS,isomer #9	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CO)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2298.2	Semi standard non polar	33892256
Serylasparagine,3TMS,isomer #9	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CO)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2257.2	Standard non polar	33892256
Serylasparagine,4TMS,isomer #1	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CO[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2282.7	Semi standard non polar	33892256
Serylasparagine,4TMS,isomer #1	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CO[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2308.8	Standard non polar	33892256
Serylasparagine,4TMS,isomer #10	C[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2291.6	Semi standard non polar	33892256
Serylasparagine,4TMS,isomer #10	C[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2363.4	Standard non polar	33892256
Serylasparagine,4TMS,isomer #11	C[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2381.4	Semi standard non polar	33892256
Serylasparagine,4TMS,isomer #11	C[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2339.0	Standard non polar	33892256
Serylasparagine,4TMS,isomer #12	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CO)N[Si](C)(C)C)[Si](C)(C)C	2254.3	Semi standard non polar	33892256
Serylasparagine,4TMS,isomer #12	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CO)N[Si](C)(C)C)[Si](C)(C)C	2315.2	Standard non polar	33892256
Serylasparagine,4TMS,isomer #13	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2393.2	Semi standard non polar	33892256
Serylasparagine,4TMS,isomer #13	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2385.6	Standard non polar	33892256
Serylasparagine,4TMS,isomer #14	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H](N)CO)[Si](C)(C)C	2282.0	Semi standard non polar	33892256
Serylasparagine,4TMS,isomer #14	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H](N)CO)[Si](C)(C)C	2389.4	Standard non polar	33892256
Serylasparagine,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2355.7	Semi standard non polar	33892256
Serylasparagine,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2333.9	Standard non polar	33892256
Serylasparagine,4TMS,isomer #16	C[Si](C)(C)N(C(=O)C[C@H](NC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2522.9	Semi standard non polar	33892256
Serylasparagine,4TMS,isomer #16	C[Si](C)(C)N(C(=O)C[C@H](NC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2445.2	Standard non polar	33892256
Serylasparagine,4TMS,isomer #17	C[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2348.3	Semi standard non polar	33892256
Serylasparagine,4TMS,isomer #17	C[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2402.3	Standard non polar	33892256
Serylasparagine,4TMS,isomer #18	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2350.7	Semi standard non polar	33892256
Serylasparagine,4TMS,isomer #18	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2450.3	Standard non polar	33892256
Serylasparagine,4TMS,isomer #2	C[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2342.5	Semi standard non polar	33892256
Serylasparagine,4TMS,isomer #2	C[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2307.4	Standard non polar	33892256
Serylasparagine,4TMS,isomer #3	C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2218.7	Semi standard non polar	33892256
Serylasparagine,4TMS,isomer #3	C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2234.1	Standard non polar	33892256
Serylasparagine,4TMS,isomer #4	C[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2327.9	Semi standard non polar	33892256
Serylasparagine,4TMS,isomer #4	C[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2309.0	Standard non polar	33892256
Serylasparagine,4TMS,isomer #5	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CO[Si](C)(C)C)[Si](C)(C)C	2223.8	Semi standard non polar	33892256
Serylasparagine,4TMS,isomer #5	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CO[Si](C)(C)C)[Si](C)(C)C	2279.4	Standard non polar	33892256
Serylasparagine,4TMS,isomer #6	C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2357.9	Semi standard non polar	33892256
Serylasparagine,4TMS,isomer #6	C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2381.5	Standard non polar	33892256
Serylasparagine,4TMS,isomer #7	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2251.0	Semi standard non polar	33892256
Serylasparagine,4TMS,isomer #7	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2359.1	Standard non polar	33892256
Serylasparagine,4TMS,isomer #8	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2411.7	Semi standard non polar	33892256
Serylasparagine,4TMS,isomer #8	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2418.6	Standard non polar	33892256
Serylasparagine,4TMS,isomer #9	C[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2379.9	Semi standard non polar	33892256
Serylasparagine,4TMS,isomer #9	C[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2329.6	Standard non polar	33892256
Serylasparagine,5TMS,isomer #1	C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2352.9	Semi standard non polar	33892256
Serylasparagine,5TMS,isomer #1	C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2389.5	Standard non polar	33892256
Serylasparagine,5TMS,isomer #10	C[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2370.4	Semi standard non polar	33892256
Serylasparagine,5TMS,isomer #10	C[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2402.9	Standard non polar	33892256
Serylasparagine,5TMS,isomer #11	C[Si](C)(C)NC(=O)C[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)C	2387.5	Semi standard non polar	33892256
Serylasparagine,5TMS,isomer #11	C[Si](C)(C)NC(=O)C[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)C	2440.9	Standard non polar	33892256
Serylasparagine,5TMS,isomer #12	C[Si](C)(C)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2515.8	Semi standard non polar	33892256
Serylasparagine,5TMS,isomer #12	C[Si](C)(C)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2533.7	Standard non polar	33892256
Serylasparagine,5TMS,isomer #2	C[Si](C)(C)NC(=O)C[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	2250.1	Semi standard non polar	33892256
Serylasparagine,5TMS,isomer #2	C[Si](C)(C)NC(=O)C[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	2373.3	Standard non polar	33892256
Serylasparagine,5TMS,isomer #3	C[Si](C)(C)NC(=O)C[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)C	2380.3	Semi standard non polar	33892256
Serylasparagine,5TMS,isomer #3	C[Si](C)(C)NC(=O)C[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)C	2417.9	Standard non polar	33892256
Serylasparagine,5TMS,isomer #4	C[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2411.7	Semi standard non polar	33892256
Serylasparagine,5TMS,isomer #4	C[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2364.0	Standard non polar	33892256
Serylasparagine,5TMS,isomer #5	C[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2343.1	Semi standard non polar	33892256
Serylasparagine,5TMS,isomer #5	C[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2386.2	Standard non polar	33892256
Serylasparagine,5TMS,isomer #6	C[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2545.0	Semi standard non polar	33892256
Serylasparagine,5TMS,isomer #6	C[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2490.6	Standard non polar	33892256
Serylasparagine,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2362.9	Semi standard non polar	33892256
Serylasparagine,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2446.0	Standard non polar	33892256
Serylasparagine,5TMS,isomer #8	C[Si](C)(C)NC(=O)C[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)C	2407.3	Semi standard non polar	33892256
Serylasparagine,5TMS,isomer #8	C[Si](C)(C)NC(=O)C[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)C	2461.3	Standard non polar	33892256
Serylasparagine,5TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C	2529.1	Semi standard non polar	33892256
Serylasparagine,5TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C	2473.6	Standard non polar	33892256
Serylasparagine,6TMS,isomer #1	C[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2519.2	Semi standard non polar	33892256
Serylasparagine,6TMS,isomer #1	C[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2505.1	Standard non polar	33892256
Serylasparagine,6TMS,isomer #2	C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2378.9	Semi standard non polar	33892256
Serylasparagine,6TMS,isomer #2	C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2466.0	Standard non polar	33892256
Serylasparagine,6TMS,isomer #3	C[Si](C)(C)NC(=O)C[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)C	2430.4	Semi standard non polar	33892256
Serylasparagine,6TMS,isomer #3	C[Si](C)(C)NC(=O)C[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)C	2478.1	Standard non polar	33892256
Serylasparagine,6TMS,isomer #4	C[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2549.5	Semi standard non polar	33892256
Serylasparagine,6TMS,isomer #4	C[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2558.8	Standard non polar	33892256
Serylasparagine,6TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2558.4	Semi standard non polar	33892256
Serylasparagine,6TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2541.0	Standard non polar	33892256
Serylasparagine,7TMS,isomer #1	C[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2614.0	Semi standard non polar	33892256
Serylasparagine,7TMS,isomer #1	C[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2579.3	Standard non polar	33892256
Serylasparagine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O	2405.0	Semi standard non polar	33892256
Serylasparagine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO	2381.9	Semi standard non polar	33892256
Serylasparagine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)O	2451.8	Semi standard non polar	33892256
Serylasparagine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CO)C(=O)O	2534.6	Semi standard non polar	33892256
Serylasparagine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CO)[C@@H](CC(N)=O)C(=O)O	2445.2	Semi standard non polar	33892256
Serylasparagine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	2624.0	Semi standard non polar	33892256
Serylasparagine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	2708.0	Semi standard non polar	33892256
Serylasparagine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(=O)C[C@H](NC(=O)[C@@H](N)CO)C(=O)O)[Si](C)(C)C(C)(C)C	2839.5	Semi standard non polar	33892256
Serylasparagine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CO)[Si](C)(C)C(C)(C)C	2711.7	Semi standard non polar	33892256
Serylasparagine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O	2668.6	Semi standard non polar	33892256
Serylasparagine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CO[Si](C)(C)C(C)(C)C)C(=O)O	2693.4	Semi standard non polar	33892256
Serylasparagine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	2659.0	Semi standard non polar	33892256
Serylasparagine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CO)C(=O)O[Si](C)(C)C(C)(C)C	2703.9	Semi standard non polar	33892256
Serylasparagine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	2680.6	Semi standard non polar	33892256
Serylasparagine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@@H](N)CO)[Si](C)(C)C(C)(C)C	2672.4	Semi standard non polar	33892256
Serylasparagine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CO)N[Si](C)(C)C(C)(C)C)C(=O)O	2765.7	Semi standard non polar	33892256
Serylasparagine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N([C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	2791.9	Semi standard non polar	33892256
Serylasparagine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	2883.4	Semi standard non polar	33892256
Serylasparagine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	2780.7	Standard non polar	33892256
Serylasparagine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H](N)CO	3003.8	Semi standard non polar	33892256
Serylasparagine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H](N)CO	2802.4	Standard non polar	33892256
Serylasparagine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)C[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)C	2901.4	Semi standard non polar	33892256
Serylasparagine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)C[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)C	2804.9	Standard non polar	33892256
Serylasparagine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3035.2	Semi standard non polar	33892256
Serylasparagine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2821.4	Standard non polar	33892256
Serylasparagine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2917.1	Semi standard non polar	33892256
Serylasparagine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2764.9	Standard non polar	33892256
Serylasparagine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3070.3	Semi standard non polar	33892256
Serylasparagine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2853.8	Standard non polar	33892256
Serylasparagine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=O)C[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	2963.2	Semi standard non polar	33892256
Serylasparagine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=O)C[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	2799.6	Standard non polar	33892256
Serylasparagine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)C[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	3093.7	Semi standard non polar	33892256
Serylasparagine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)C[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	2866.9	Standard non polar	33892256
Serylasparagine,3TBDMS,isomer #17	CC(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](CC(N)=O)C(=O)O	3027.3	Semi standard non polar	33892256
Serylasparagine,3TBDMS,isomer #17	CC(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](CC(N)=O)C(=O)O	2821.2	Standard non polar	33892256
Serylasparagine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CO)[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2972.3	Semi standard non polar	33892256
Serylasparagine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CO)[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2864.5	Standard non polar	33892256
Serylasparagine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2898.9	Semi standard non polar	33892256
Serylasparagine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2770.5	Standard non polar	33892256
Serylasparagine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2858.0	Semi standard non polar	33892256
Serylasparagine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2740.9	Standard non polar	33892256
Serylasparagine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	2927.9	Semi standard non polar	33892256
Serylasparagine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	2838.6	Standard non polar	33892256
Serylasparagine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3027.7	Semi standard non polar	33892256
Serylasparagine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2832.9	Standard non polar	33892256
Serylasparagine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	2911.8	Semi standard non polar	33892256
Serylasparagine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	2770.6	Standard non polar	33892256
Serylasparagine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2988.4	Semi standard non polar	33892256
Serylasparagine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2862.4	Standard non polar	33892256
Serylasparagine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2893.6	Semi standard non polar	33892256
Serylasparagine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2796.6	Standard non polar	33892256
Serylasparagine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CO)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2956.8	Semi standard non polar	33892256
Serylasparagine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CO)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2783.6	Standard non polar	33892256
Serylasparagine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3148.1	Semi standard non polar	33892256
Serylasparagine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2972.3	Standard non polar	33892256
Serylasparagine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3179.7	Semi standard non polar	33892256
Serylasparagine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3038.5	Standard non polar	33892256
Serylasparagine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3257.4	Semi standard non polar	33892256
Serylasparagine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3026.5	Standard non polar	33892256
Serylasparagine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=O)C[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	3144.2	Semi standard non polar	33892256
Serylasparagine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=O)C[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	2976.9	Standard non polar	33892256
Serylasparagine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)C[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)C	3308.0	Semi standard non polar	33892256
Serylasparagine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)C[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)C	3039.4	Standard non polar	33892256
Serylasparagine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CO)[Si](C)(C)C(C)(C)C	3188.6	Semi standard non polar	33892256
Serylasparagine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CO)[Si](C)(C)C(C)(C)C	3064.0	Standard non polar	33892256
Serylasparagine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=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)C	3259.4	Semi standard non polar	33892256
Serylasparagine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=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)C	3034.6	Standard non polar	33892256
Serylasparagine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(C(=O)C[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)C	3395.5	Semi standard non polar	33892256
Serylasparagine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(C(=O)C[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)C	3117.9	Standard non polar	33892256
Serylasparagine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3240.8	Semi standard non polar	33892256
Serylasparagine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3052.9	Standard non polar	33892256
Serylasparagine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(=O)C[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)C	3277.3	Semi standard non polar	33892256
Serylasparagine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(=O)C[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)C	3069.0	Standard non polar	33892256
Serylasparagine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3254.5	Semi standard non polar	33892256
Serylasparagine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3009.9	Standard non polar	33892256
Serylasparagine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3112.9	Semi standard non polar	33892256
Serylasparagine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2962.1	Standard non polar	33892256
Serylasparagine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3201.0	Semi standard non polar	33892256
Serylasparagine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3016.3	Standard non polar	33892256
Serylasparagine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)C[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)C)[Si](C)(C)C(C)(C)C	3090.4	Semi standard non polar	33892256
Serylasparagine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)C[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)C)[Si](C)(C)C(C)(C)C	2972.1	Standard non polar	33892256
Serylasparagine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3237.6	Semi standard non polar	33892256
Serylasparagine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3065.2	Standard non polar	33892256
Serylasparagine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)C[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	3140.6	Semi standard non polar	33892256
Serylasparagine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)C[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	2991.8	Standard non polar	33892256
Serylasparagine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)C[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	3317.6	Semi standard non polar	33892256
Serylasparagine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)C[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	3053.4	Standard non polar	33892256
Serylasparagine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3264.9	Semi standard non polar	33892256
Serylasparagine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3023.0	Standard non polar	33892256
Serylasparagine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3433.4	Semi standard non polar	33892256
Serylasparagine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3195.4	Standard non polar	33892256
Serylasparagine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3433.4	Semi standard non polar	33892256
Serylasparagine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3220.2	Standard non polar	33892256
Serylasparagine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)C[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)C	3468.0	Semi standard non polar	33892256
Serylasparagine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)C[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)C	3241.7	Standard non polar	33892256
Serylasparagine,5TBDMS,isomer #12	CC(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](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3564.9	Semi standard non polar	33892256
Serylasparagine,5TBDMS,isomer #12	CC(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](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3311.5	Standard non polar	33892256
Serylasparagine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)C[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	3313.7	Semi standard non polar	33892256
Serylasparagine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)C[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	3148.7	Standard non polar	33892256
Serylasparagine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)C[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)C	3507.2	Semi standard non polar	33892256
Serylasparagine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)C[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)C	3193.9	Standard non polar	33892256
Serylasparagine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CC(N)=O)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)C	3494.4	Semi standard non polar	33892256
Serylasparagine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CC(N)=O)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)C	3200.6	Standard non polar	33892256
Serylasparagine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3395.5	Semi standard non polar	33892256
Serylasparagine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3213.2	Standard non polar	33892256
Serylasparagine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3611.0	Semi standard non polar	33892256
Serylasparagine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3277.7	Standard non polar	33892256
Serylasparagine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3429.8	Semi standard non polar	33892256
Serylasparagine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3228.1	Standard non polar	33892256
Serylasparagine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)C[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)C	3502.4	Semi standard non polar	33892256
Serylasparagine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)C[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)C	3230.4	Standard non polar	33892256
Serylasparagine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3602.5	Semi standard non polar	33892256
Serylasparagine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3277.9	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Serylasparagine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Serylasparagine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Serylasparagine 10V, Positive-QTOF	splash10-0w90-6490000000-a72f5afd2d192e7f4642	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Serylasparagine 20V, Positive-QTOF	splash10-03dr-9410000000-26fb5f4e10c624cc488c	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Serylasparagine 40V, Positive-QTOF	splash10-000f-9100000000-da9ca28fe9adf34cc82c	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Serylasparagine 10V, Negative-QTOF	splash10-0gbi-0980000000-fe9e72dec041dc00541b	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Serylasparagine 20V, Negative-QTOF	splash10-0006-6920000000-c1699fb1e829141823cc	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Serylasparagine 40V, Negative-QTOF	splash10-0006-9000000000-01aeead0822f802bce8d	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Serylasparagine 10V, Negative-QTOF	splash10-03yi-1930000000-756ee2efd19590531d83	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Serylasparagine 20V, Negative-QTOF	splash10-03ei-6900000000-eee8029293b7b69bc55b	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Serylasparagine 40V, Negative-QTOF	splash10-0006-9100000000-e522e54690cf42a003c3	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Serylasparagine 10V, Positive-QTOF	splash10-00di-0390000000-acf673acc32532b1d113	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Serylasparagine 20V, Positive-QTOF	splash10-02t9-7910000000-d9404f4e8af735e38511	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Serylasparagine 40V, Positive-QTOF	splash10-074r-9000000000-99cd04ecea32958a7c39	2021-09-23	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB112042

KNApSAcK ID

Not Available

Chemspider ID

5379097

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

7016075

PDB ID

Not Available

ChEBI ID

74802

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Broberg K, Hoglund M, Gustafsson C, Bjork J, Ingvar C, Albin M, Olsson H: Genetic variant of the human homologous recombination-associated gene RMI1 (S455N) impacts the risk of AML/MDS and malignant melanoma. Cancer Lett. 2007 Dec 8;258(1):38-44. Epub 2007 Sep 27. [PubMed:17900800 ]

Showing metabocard for Serylasparagine (HMDB0029034)

MOL for HMDB0029034 (Serylasparagine)

3D MOL for HMDB0029034 (Serylasparagine)

3D SDF for HMDB0029034 (Serylasparagine)

3D-SDF for HMDB0029034 (Serylasparagine)

PDB for HMDB0029034 (Serylasparagine)

3D PDB for HMDB0029034 (Serylasparagine)

SMILES for HMDB0029034 (Serylasparagine)

INCHI for HMDB0029034 (Serylasparagine)

Structure for HMDB0029034 (Serylasparagine)

3D Structure for HMDB0029034 (Serylasparagine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra