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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:46:46 UTC

Update Date

2022-03-07 02:53:11 UTC

HMDB ID

HMDB0031950

Secondary Accession Numbers

HMDB31950

Metabolite Identification

Common Name

L-2-Aminoethyl seryl phosphate

Description

L-2-Aminoethyl seryl phosphate, also known as serine ethanolamine phosphate, belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). L-2-Aminoethyl seryl phosphate has been detected, but not quantified in, fishes. This could make L-2-aminoethyl seryl phosphate a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on L-2-Aminoethyl seryl phosphate.

Structure

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

  Mrv0541 05061306152D          

 14 13  0  0  0  0            999 V2000
   -2.0625    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750    1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  2  0  0  0  0
  9  5  1  0  0  0  0
 12  2  1  0  0  0  0
 13  3  1  0  0  0  0
 14 10  1  0  0  0  0
 14 11  2  0  0  0  0
 14 12  1  0  0  0  0
 14 13  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0031950

> <DATABASE_NAME>
hmdb

> <SMILES>
NCCOP(O)(=O)OCC(N)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C5H13N2O6P/c6-1-2-12-14(10,11)13-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)(H,10,11)

> <INCHI_KEY>
UQDJGEHQDNVPGU-UHFFFAOYSA-N

> <FORMULA>
C5H13N2O6P

> <MOLECULAR_WEIGHT>
228.1403

> <EXACT_MASS>
228.05112267

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
19.54404464123299

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-3-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propanoic acid

> <ALOGPS_LOGP>
-2.84

> <JCHEM_LOGP>
-8.399536269966372

> <ALOGPS_LOGS>
-1.00

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
2.3705455499570913

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.6283350254142723

> <JCHEM_PKA_STRONGEST_BASIC>
10.09266912018032

> <JCHEM_POLAR_SURFACE_AREA>
145.1

> <JCHEM_REFRACTIVITY>
45.34600000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.26e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
serine ethanolamine phosphate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      -3.850   1.334   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.310   1.334   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.310  -1.334   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.850  -1.334   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.620  -2.667   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      -4.620   2.667   0.000  0.00  0.00           N+0
HETATM    7  N   UNK     0       4.620   0.000   0.000  0.00  0.00           N+0
HETATM    8  O   UNK     0       6.160  -2.667   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       3.850  -4.001   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       0.000  -1.540   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       0.000   1.540   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      -1.540   0.000   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       1.540   0.000   0.000  0.00  0.00           O+0
HETATM   14  P   UNK     0       0.000   0.000   0.000  0.00  0.00           P+0
CONECT    1    2    6                                                       
CONECT    2    1   12                                                       
CONECT    3    4   13                                                       
CONECT    4    3    5    7                                                  
CONECT    5    4    8    9                                                  
CONECT    6    1                                                            
CONECT    7    4                                                            
CONECT    8    5                                                            
CONECT    9    5                                                            
CONECT   10   14                                                            
CONECT   11   14                                                            
CONECT   12    2   14                                                       
CONECT   13    3   14                                                       
CONECT   14   10   11   12   13                                             
MASTER        0    0    0    0    0    0    0    0   14    0   26    0
END

COMPND    HMDB0031950
HETATM    1  N1  UNL     1       4.194   1.331   0.639  1.00  0.00           N  
HETATM    2  C1  UNL     1       3.122   0.856  -0.176  1.00  0.00           C  
HETATM    3  C2  UNL     1       2.870  -0.612   0.120  1.00  0.00           C  
HETATM    4  O1  UNL     1       1.720  -0.954  -0.714  1.00  0.00           O  
HETATM    5  P1  UNL     1       0.582  -1.504   0.477  1.00  0.00           P  
HETATM    6  O2  UNL     1       0.958  -0.612   1.787  1.00  0.00           O  
HETATM    7  O3  UNL     1       0.789  -3.089   0.990  1.00  0.00           O  
HETATM    8  O4  UNL     1      -0.941  -1.164   0.081  1.00  0.00           O  
HETATM    9  C3  UNL     1      -1.438   0.125   0.258  1.00  0.00           C  
HETATM   10  C4  UNL     1      -2.963  -0.018   0.103  1.00  0.00           C  
HETATM   11  N2  UNL     1      -3.269  -0.629  -1.179  1.00  0.00           N  
HETATM   12  C5  UNL     1      -3.612   1.288   0.321  1.00  0.00           C  
HETATM   13  O5  UNL     1      -4.386   1.694  -0.528  1.00  0.00           O  
HETATM   14  O6  UNL     1      -3.326   1.970   1.446  1.00  0.00           O  
HETATM   15  H1  UNL     1       4.467   0.719   1.414  1.00  0.00           H  
HETATM   16  H2  UNL     1       4.248   2.334   0.827  1.00  0.00           H  
HETATM   17  H3  UNL     1       3.387   1.046  -1.280  1.00  0.00           H  
HETATM   18  H4  UNL     1       2.156   1.416   0.079  1.00  0.00           H  
HETATM   19  H5  UNL     1       2.814  -0.977   1.082  1.00  0.00           H  
HETATM   20  H6  UNL     1       3.706  -1.165  -0.463  1.00  0.00           H  
HETATM   21  H7  UNL     1       0.080  -3.644   0.574  1.00  0.00           H  
HETATM   22  H8  UNL     1      -1.244   0.404   1.341  1.00  0.00           H  
HETATM   23  H9  UNL     1      -1.007   0.845  -0.416  1.00  0.00           H  
HETATM   24  H10 UNL     1      -3.253  -0.755   0.898  1.00  0.00           H  
HETATM   25  H11 UNL     1      -3.059   0.023  -1.943  1.00  0.00           H  
HETATM   26  H12 UNL     1      -4.232  -1.011  -1.154  1.00  0.00           H  
HETATM   27  H13 UNL     1      -2.366   2.081   1.807  1.00  0.00           H  
CONECT    1    2   15   16
CONECT    2    3   17   18
CONECT    3    4   19   20
CONECT    4    5
CONECT    5    6    6    7    8
CONECT    7   21
CONECT    8    9
CONECT    9   10   22   23
CONECT   10   11   12   24
CONECT   11   25   26
CONECT   12   13   13   14
CONECT   14   27
END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
O-[(2-Aminoethoxy)hydroxyphosphinyl]serine	ChEBI
Serine ethanolamine phosphate	ChEBI
Serine ethanolamine phosphoric acid	Generator
L-2-Aminoethyl seryl phosphoric acid	Generator
Serine ethanolamine phosphate, (D)-isomer	MeSH
Serine ethanolamine phosphodiester	MeSH
2-Aminoethyl seryl phosphate	HMDB
L-Form	HMDB
L-Serine 3-(2-aminoethyl hydrogen phosphate)	HMDB
L-Serine phosphoethanolamine	HMDB
L-Serine-phosphoethanolamine	HMDB
O-[(2-Aminoethoxy)(hydroxy)phosphoryl]-L-serine	HMDB
Serine phosphoethanolamine	HMDB

Chemical Formula

C₅H₁₃N₂O₆P

Average Molecular Weight

228.1403

Monoisotopic Molecular Weight

228.05112267

IUPAC Name

2-amino-3-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propanoic acid

Traditional Name

serine ethanolamine phosphate

CAS Registry Number

1186-34-1

SMILES

NCCOP(O)(=O)OCC(N)C(O)=O

InChI Identifier

InChI=1S/C5H13N2O6P/c6-1-2-12-14(10,11)13-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)(H,10,11)

InChI Key

UQDJGEHQDNVPGU-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Alpha amino acids

Alternative Parents

Substituents

Alpha-amino acid
Phosphoethanolamine
Dialkyl phosphate
Organic phosphoric acid derivative
Phosphoric acid ester
Alkyl phosphate
Amino acid
Carboxylic acid
Monocarboxylic acid or derivatives
Organic nitrogen compound
Primary amine
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Organic oxide
Organopnictogen compound
Primary aliphatic amine
Organic oxygen compound
Carbonyl group
Amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

non-proteinogenic alpha-amino acid (CHEBI:15916 )
O-phosphoamino acid (CHEBI:15916 )
phosphoethanolamine (CHEBI:15916 )
serine derivative (CHEBI:15916 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0031950)
Cytoplasm (HMDB: HMDB0031950)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0031950)

Source

Endogenous

Endogenous (HMDB: HMDB0031950)

Animal

Animal (HMDB: HMDB0031950)

Exogenous

Food

Food (HMDB: HMDB0031950)

Aquatic origin

Fish

Fishes (FooDB: FOOD00865)

Exogenous (HMDB: HMDB0031950)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	142 - 143 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	22.6 g/L	ALOGPS
logP	-2.8	ALOGPS
logP	-8.4	ChemAxon
logS	-1	ALOGPS
pKa (Strongest Acidic)	1.63	ChemAxon
pKa (Strongest Basic)	10.09	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	145.1 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	45.35 m³·mol⁻¹	ChemAxon
Polarizability	19.54 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
DarkChem	[M+H]+	150.937	31661259
DarkChem	[M-H]-	144.877	31661259
DeepCCS	[M+H]+	131.941	30932474
DeepCCS	[M-H]-	128.108	30932474
DeepCCS	[M-2H]-	165.224	30932474
DeepCCS	[M+Na]+	140.778	30932474
AllCCS	[M+H]+	148.2	32859911
AllCCS	[M+H-H2O]+	144.8	32859911
AllCCS	[M+NH4]+	151.3	32859911
AllCCS	[M+Na]+	152.2	32859911
AllCCS	[M-H]-	143.8	32859911
AllCCS	[M+Na-2H]-	145.0	32859911
AllCCS	[M+HCOO]-	146.3	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
L-2-Aminoethyl seryl phosphate	NCCOP(O)(=O)OCC(N)C(O)=O	2441.2	Standard polar	33892256
L-2-Aminoethyl seryl phosphate	NCCOP(O)(=O)OCC(N)C(O)=O	1867.4	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate	NCCOP(O)(=O)OCC(N)C(O)=O	2231.0	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
L-2-Aminoethyl seryl phosphate,1TMS,isomer #1	C[Si](C)(C)OC(=O)C(N)COP(=O)(O)OCCN	2006.2	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,1TMS,isomer #2	C[Si](C)(C)OP(=O)(OCCN)OCC(N)C(=O)O	2065.6	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,1TMS,isomer #3	C[Si](C)(C)NCCOP(=O)(O)OCC(N)C(=O)O	2141.6	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,1TMS,isomer #4	C[Si](C)(C)NC(COP(=O)(O)OCCN)C(=O)O	2121.0	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,2TMS,isomer #1	C[Si](C)(C)OC(=O)C(N)COP(=O)(OCCN)O[Si](C)(C)C	2013.7	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,2TMS,isomer #1	C[Si](C)(C)OC(=O)C(N)COP(=O)(OCCN)O[Si](C)(C)C	2021.1	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,2TMS,isomer #2	C[Si](C)(C)NC(COP(=O)(O)OCCN)C(=O)O[Si](C)(C)C	2093.7	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,2TMS,isomer #2	C[Si](C)(C)NC(COP(=O)(O)OCCN)C(=O)O[Si](C)(C)C	2064.6	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,2TMS,isomer #3	C[Si](C)(C)NCCOP(=O)(O)OCC(N)C(=O)O[Si](C)(C)C	2091.2	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,2TMS,isomer #3	C[Si](C)(C)NCCOP(=O)(O)OCC(N)C(=O)O[Si](C)(C)C	2091.6	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,2TMS,isomer #4	C[Si](C)(C)NCCOP(=O)(OCC(N)C(=O)O)O[Si](C)(C)C	2130.1	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,2TMS,isomer #4	C[Si](C)(C)NCCOP(=O)(OCC(N)C(=O)O)O[Si](C)(C)C	2111.0	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,2TMS,isomer #5	C[Si](C)(C)NC(COP(=O)(OCCN)O[Si](C)(C)C)C(=O)O	2142.8	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,2TMS,isomer #5	C[Si](C)(C)NC(COP(=O)(OCCN)O[Si](C)(C)C)C(=O)O	2086.0	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,2TMS,isomer #6	C[Si](C)(C)NCCOP(=O)(O)OCC(N[Si](C)(C)C)C(=O)O	2176.9	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,2TMS,isomer #6	C[Si](C)(C)NCCOP(=O)(O)OCC(N[Si](C)(C)C)C(=O)O	2154.5	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,2TMS,isomer #7	C[Si](C)(C)N(CCOP(=O)(O)OCC(N)C(=O)O)[Si](C)(C)C	2295.0	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,2TMS,isomer #7	C[Si](C)(C)N(CCOP(=O)(O)OCC(N)C(=O)O)[Si](C)(C)C	2203.2	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,2TMS,isomer #8	C[Si](C)(C)N(C(COP(=O)(O)OCCN)C(=O)O)[Si](C)(C)C	2251.0	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,2TMS,isomer #8	C[Si](C)(C)N(C(COP(=O)(O)OCCN)C(=O)O)[Si](C)(C)C	2126.2	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,3TMS,isomer #1	C[Si](C)(C)NC(COP(=O)(OCCN)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2121.5	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,3TMS,isomer #1	C[Si](C)(C)NC(COP(=O)(OCCN)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2163.3	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,3TMS,isomer #10	C[Si](C)(C)NCCOP(=O)(O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2320.4	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,3TMS,isomer #10	C[Si](C)(C)NCCOP(=O)(O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2303.1	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,3TMS,isomer #2	C[Si](C)(C)NCCOP(=O)(OCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2108.2	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,3TMS,isomer #2	C[Si](C)(C)NCCOP(=O)(OCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2185.5	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,3TMS,isomer #3	C[Si](C)(C)NCCOP(=O)(O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2145.2	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,3TMS,isomer #3	C[Si](C)(C)NCCOP(=O)(O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2226.6	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,3TMS,isomer #4	C[Si](C)(C)OC(=O)C(COP(=O)(O)OCCN)N([Si](C)(C)C)[Si](C)(C)C	2232.5	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,3TMS,isomer #4	C[Si](C)(C)OC(=O)C(COP(=O)(O)OCCN)N([Si](C)(C)C)[Si](C)(C)C	2187.8	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,3TMS,isomer #5	C[Si](C)(C)OC(=O)C(N)COP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C	2272.6	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,3TMS,isomer #5	C[Si](C)(C)OC(=O)C(N)COP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C	2258.7	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,3TMS,isomer #6	C[Si](C)(C)NCCOP(=O)(OCC(N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2210.7	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,3TMS,isomer #6	C[Si](C)(C)NCCOP(=O)(OCC(N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2249.0	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,3TMS,isomer #7	C[Si](C)(C)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)OCC(N)C(=O)O	2293.4	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,3TMS,isomer #7	C[Si](C)(C)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)OCC(N)C(=O)O	2277.9	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,3TMS,isomer #8	C[Si](C)(C)OP(=O)(OCCN)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2256.1	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,3TMS,isomer #8	C[Si](C)(C)OP(=O)(OCCN)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2206.2	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,3TMS,isomer #9	C[Si](C)(C)NC(COP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2352.3	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,3TMS,isomer #9	C[Si](C)(C)NC(COP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2316.0	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,4TMS,isomer #1	C[Si](C)(C)NCCOP(=O)(OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2170.9	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,4TMS,isomer #1	C[Si](C)(C)NCCOP(=O)(OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2306.0	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,4TMS,isomer #2	C[Si](C)(C)OC(=O)C(COP(=O)(OCCN)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2253.8	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,4TMS,isomer #2	C[Si](C)(C)OC(=O)C(COP(=O)(OCCN)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2269.5	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,4TMS,isomer #3	C[Si](C)(C)OC(=O)C(N)COP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2280.3	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,4TMS,isomer #3	C[Si](C)(C)OC(=O)C(N)COP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2315.2	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,4TMS,isomer #4	C[Si](C)(C)NC(COP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2339.4	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,4TMS,isomer #4	C[Si](C)(C)NC(COP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2359.1	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,4TMS,isomer #5	C[Si](C)(C)NCCOP(=O)(O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2286.1	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,4TMS,isomer #5	C[Si](C)(C)NCCOP(=O)(O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2354.5	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,4TMS,isomer #6	C[Si](C)(C)NC(COP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2361.3	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,4TMS,isomer #6	C[Si](C)(C)NC(COP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2355.3	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,4TMS,isomer #7	C[Si](C)(C)NCCOP(=O)(OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2315.0	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,4TMS,isomer #7	C[Si](C)(C)NCCOP(=O)(OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2363.7	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,4TMS,isomer #8	C[Si](C)(C)N(CCOP(=O)(O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2530.3	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,4TMS,isomer #8	C[Si](C)(C)N(CCOP(=O)(O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2462.1	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,5TMS,isomer #1	C[Si](C)(C)NC(COP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2351.9	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,5TMS,isomer #1	C[Si](C)(C)NC(COP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2388.2	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,5TMS,isomer #2	C[Si](C)(C)NCCOP(=O)(OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2305.1	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,5TMS,isomer #2	C[Si](C)(C)NCCOP(=O)(OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2391.8	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,5TMS,isomer #3	C[Si](C)(C)OC(=O)C(COP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2537.0	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,5TMS,isomer #3	C[Si](C)(C)OC(=O)C(COP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2480.9	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,5TMS,isomer #4	C[Si](C)(C)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2545.3	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,5TMS,isomer #4	C[Si](C)(C)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2476.2	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,6TMS,isomer #1	C[Si](C)(C)OC(=O)C(COP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2563.3	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,6TMS,isomer #1	C[Si](C)(C)OC(=O)C(COP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2482.2	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(N)COP(=O)(O)OCCN	2238.8	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OP(=O)(OCCN)OCC(N)C(=O)O	2296.4	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OCC(N)C(=O)O	2373.6	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(COP(=O)(O)OCCN)C(=O)O	2325.0	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(N)COP(=O)(OCCN)O[Si](C)(C)C(C)(C)C	2443.8	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(N)COP(=O)(OCCN)O[Si](C)(C)C(C)(C)C	2413.7	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(COP(=O)(O)OCCN)C(=O)O[Si](C)(C)C(C)(C)C	2480.3	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(COP(=O)(O)OCCN)C(=O)O[Si](C)(C)C(C)(C)C	2454.8	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OCC(N)C(=O)O[Si](C)(C)C(C)(C)C	2505.0	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OCC(N)C(=O)O[Si](C)(C)C(C)(C)C	2517.5	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCOP(=O)(OCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C	2561.5	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCOP(=O)(OCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C	2535.8	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(COP(=O)(OCCN)O[Si](C)(C)C(C)(C)C)C(=O)O	2526.1	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(COP(=O)(OCCN)O[Si](C)(C)C(C)(C)C)C(=O)O	2452.1	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O	2579.6	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O	2542.9	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(CCOP(=O)(O)OCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	2709.0	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(CCOP(=O)(O)OCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	2602.2	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N(C(COP(=O)(O)OCCN)C(=O)O)[Si](C)(C)C(C)(C)C	2643.9	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N(C(COP(=O)(O)OCCN)C(=O)O)[Si](C)(C)C(C)(C)C	2493.0	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(COP(=O)(OCCN)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2707.6	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(COP(=O)(OCCN)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2669.2	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2949.5	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2828.4	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCOP(=O)(OCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2729.7	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCOP(=O)(OCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2726.0	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2742.9	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2781.6	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(COP(=O)(O)OCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2848.4	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(COP(=O)(O)OCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2734.2	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(N)COP(=O)(O)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2892.0	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(N)COP(=O)(O)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2818.6	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCCOP(=O)(OCC(N[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	2809.4	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCCOP(=O)(OCC(N[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	2766.2	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OP(=O)(OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OCC(N)C(=O)O	2939.2	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OP(=O)(OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OCC(N)C(=O)O	2838.3	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OP(=O)(OCCN)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2883.9	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OP(=O)(OCCN)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2703.3	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(COP(=O)(O)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2969.5	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(COP(=O)(O)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2855.2	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCOP(=O)(OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3000.1	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCOP(=O)(OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2934.5	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(COP(=O)(OCCN)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3077.6	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(COP(=O)(OCCN)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2896.8	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(N)COP(=O)(OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3121.3	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(N)COP(=O)(OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2976.1	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(COP(=O)(O)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3176.6	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(COP(=O)(O)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3044.5	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OCC(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	3140.3	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OCC(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	3033.5	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(COP(=O)(OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3210.5	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(COP(=O)(OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	2998.3	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCOP(=O)(OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3172.6	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCOP(=O)(OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2980.3	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N(CCOP(=O)(O)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3311.2	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N(CCOP(=O)(O)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3091.9	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(COP(=O)(OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3397.3	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(COP(=O)(OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3148.3	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCOP(=O)(OCC(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)O[Si](C)(C)C(C)(C)C	3362.2	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCOP(=O)(OCC(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)O[Si](C)(C)C(C)(C)C	3140.0	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(COP(=O)(O)OCCN([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	3537.4	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(COP(=O)(O)OCCN([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	3266.9	Standard non polar	33892256
L-2-Aminoethyl seryl phosphate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OP(=O)(OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3543.9	Semi standard non polar	33892256
L-2-Aminoethyl seryl phosphate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OP(=O)(OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3208.6	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - L-2-Aminoethyl seryl phosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-0006-4900000000-919428a414350af81123	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-2-Aminoethyl seryl phosphate GC-MS (1 TMS) - 70eV, Positive	splash10-001i-3900000000-4ab8b6ab395f0bf8d625	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-2-Aminoethyl seryl phosphate 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 - L-2-Aminoethyl seryl phosphate 10V, Positive-QTOF	splash10-0006-9110000000-f4f86d7635dc9a8f0631	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-2-Aminoethyl seryl phosphate 20V, Positive-QTOF	splash10-0006-9100000000-5c5db73feaf996ec5edd	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-2-Aminoethyl seryl phosphate 40V, Positive-QTOF	splash10-0006-9000000000-03df1c2f1c617108c950	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-2-Aminoethyl seryl phosphate 10V, Negative-QTOF	splash10-0059-4950000000-df3cf6b48bf5e9f0e02f	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-2-Aminoethyl seryl phosphate 20V, Negative-QTOF	splash10-004i-9610000000-c7483cea45df675a9485	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-2-Aminoethyl seryl phosphate 40V, Negative-QTOF	splash10-004i-9000000000-ecc855a3811df0dffe32	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-2-Aminoethyl seryl phosphate 10V, Positive-QTOF	splash10-002f-3690000000-3b16f5f28397ec554f99	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-2-Aminoethyl seryl phosphate 20V, Positive-QTOF	splash10-0007-9300000000-827a371c5f828d8d1f36	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-2-Aminoethyl seryl phosphate 40V, Positive-QTOF	splash10-0006-9000000000-ffccb6a032d3b6c0de48	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-2-Aminoethyl seryl phosphate 10V, Negative-QTOF	splash10-004l-9500000000-5f0e9596369ce548ae4e	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-2-Aminoethyl seryl phosphate 20V, Negative-QTOF	splash10-004i-9200000000-fc26eff7763e8b3f87c3	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-2-Aminoethyl seryl phosphate 40V, Negative-QTOF	splash10-004i-9000000000-ca30e71e114ea6673088	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

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

FDB008641

KNApSAcK ID

Not Available

Chemspider ID

2544038

KEGG Compound ID

C03872

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

25201528

PDB ID

Not Available

ChEBI ID

15916

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

(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for L-2-Aminoethyl seryl phosphate (HMDB0031950)

MOL for HMDB0031950 (L-2-Aminoethyl seryl phosphate)

3D MOL for HMDB0031950 (L-2-Aminoethyl seryl phosphate)

3D SDF for HMDB0031950 (L-2-Aminoethyl seryl phosphate)

3D-SDF for HMDB0031950 (L-2-Aminoethyl seryl phosphate)

PDB for HMDB0031950 (L-2-Aminoethyl seryl phosphate)

3D PDB for HMDB0031950 (L-2-Aminoethyl seryl phosphate)

SMILES for HMDB0031950 (L-2-Aminoethyl seryl phosphate)

INCHI for HMDB0031950 (L-2-Aminoethyl seryl phosphate)

Structure for HMDB0031950 (L-2-Aminoethyl seryl phosphate)

3D Structure for HMDB0031950 (L-2-Aminoethyl seryl phosphate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra