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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-01 15:44:52 UTC

Update Date

2021-09-26 22:48:59 UTC

HMDB ID

HMDB0242545

Secondary Accession Numbers

None

Metabolite Identification

Common Name

(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid

Description

(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. Based on a literature review a significant number of articles have been published on (2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). (2s,3r,4s,5r)-3,4,5-trihydroxy-6-oxopiperidine-2-carboxylic acid is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically (2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

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

  Mrv1652309012117552D          

 13 13  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  2 12  1  0  0  0  0
  1 13  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0242545

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1C(O)C(NC(=O)C1O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H9NO6/c8-2-1(6(12)13)7-5(11)4(10)3(2)9/h1-4,8-10H,(H,7,11)(H,12,13)

> <INCHI_KEY>
YEWOHTVJCCDCCS-UHFFFAOYSA-N

> <FORMULA>
C6H9NO6

> <MOLECULAR_WEIGHT>
191.139

> <EXACT_MASS>
191.042987014

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
22

> <JCHEM_AVERAGE_POLARIZABILITY>
15.791394697368023

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,4,5-trihydroxy-6-oxopiperidine-2-carboxylic acid

> <ALOGPS_LOGP>
-2.51

> <JCHEM_LOGP>
-3.154159252

> <ALOGPS_LOGS>
-0.21

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
10.630212470211939

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.228617123648039

> <JCHEM_PKA_STRONGEST_BASIC>
-3.5695127358074714

> <JCHEM_POLAR_SURFACE_AREA>
127.09000000000002

> <JCHEM_REFRACTIVITY>
36.596000000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.18e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,4,5-trihydroxy-6-oxopiperidine-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 01-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   01-SEP-21         0                                  
HETATM    1  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0       1.334  -0.770   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       5.335  -0.000   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       4.001   2.310   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
CONECT    1    2    7   13                                                  
CONECT    2    1    3   12                                                  
CONECT    3    2    4    9                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    1    8                                                  
CONECT    8    7                                                            
CONECT    9    3   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12    2                                                            
CONECT   13    1                                                            
MASTER        0    0    0    0    0    0    0    0   13    0   26    0
END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
(2S,3R,4S,5R)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylate	Generator

Chemical Formula

C₆H₉NO₆

Average Molecular Weight

191.139

Monoisotopic Molecular Weight

191.042987014

IUPAC Name

3,4,5-trihydroxy-6-oxopiperidine-2-carboxylic acid

Traditional Name

3,4,5-trihydroxy-6-oxopiperidine-2-carboxylic acid

CAS Registry Number

Not Available

SMILES

OC1C(O)C(NC(=O)C1O)C(O)=O

InChI Identifier

InChI=1S/C6H9NO6/c8-2-1(6(12)13)7-5(11)4(10)3(2)9/h1-4,8-10H,(H,7,11)(H,12,13)

InChI Key

YEWOHTVJCCDCCS-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.

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 and derivatives

Alternative Parents

Substituents

Alpha-amino acid or derivatives
Piperidinecarboxylic acid
Beta-hydroxy acid
Delta-lactam
Piperidinone
Hydroxy acid
Piperidine
Carboxamide group
Lactam
Secondary carboxylic acid amide
Secondary alcohol
Carboxylic acid
Azacycle
Monocarboxylic acid or derivatives
Organoheterocyclic compound
Polyol
Hydrocarbon derivative
Organic oxide
Alcohol
Organopnictogen compound
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Organic oxygen compound
Carbonyl group
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

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	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-2.5	ALOGPS
logP	-3.2	ChemAxon
logS	-0.21	ALOGPS
pKa (Strongest Acidic)	3.23	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	127.09 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	36.6 m³·mol⁻¹	ChemAxon
Polarizability	15.79 Å³	ChemAxon
Number of Rings	1	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]+	134.693	30932474
DeepCCS	[M-H]-	130.865	30932474
DeepCCS	[M-2H]-	168.311	30932474
DeepCCS	[M+Na]+	143.85	30932474
AllCCS	[M+H]+	141.9	32859911
AllCCS	[M+H-H2O]+	137.7	32859911
AllCCS	[M+NH4]+	145.8	32859911
AllCCS	[M+Na]+	147.0	32859911
AllCCS	[M-H]-	131.7	32859911
AllCCS	[M+Na-2H]-	132.3	32859911
AllCCS	[M+HCOO]-	133.0	32859911

Predicted Kovats Retention Indices

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,1TMS,isomer #1	C[Si](C)(C)OC1C(O)C(=O)NC(C(=O)O)C1O	1874.3	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,1TMS,isomer #1	C[Si](C)(C)OC1C(O)C(=O)NC(C(=O)O)C1O	1718.4	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,1TMS,isomer #1	C[Si](C)(C)OC1C(O)C(=O)NC(C(=O)O)C1O	4059.2	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,1TMS,isomer #2	C[Si](C)(C)OC1C(C(=O)O)NC(=O)C(O)C1O	1848.3	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,1TMS,isomer #2	C[Si](C)(C)OC1C(C(=O)O)NC(=O)C(O)C1O	1713.7	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,1TMS,isomer #2	C[Si](C)(C)OC1C(C(=O)O)NC(=O)C(O)C1O	3880.6	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,1TMS,isomer #3	C[Si](C)(C)OC1C(=O)NC(C(=O)O)C(O)C1O	1914.6	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,1TMS,isomer #3	C[Si](C)(C)OC1C(=O)NC(C(=O)O)C(O)C1O	1752.8	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,1TMS,isomer #3	C[Si](C)(C)OC1C(=O)NC(C(=O)O)C(O)C1O	3873.3	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,1TMS,isomer #4	C[Si](C)(C)OC(=O)C1NC(=O)C(O)C(O)C1O	1903.4	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,1TMS,isomer #4	C[Si](C)(C)OC(=O)C1NC(=O)C(O)C(O)C1O	1729.3	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,1TMS,isomer #4	C[Si](C)(C)OC(=O)C1NC(=O)C(O)C(O)C1O	4051.8	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,1TMS,isomer #5	C[Si](C)(C)N1C(=O)C(O)C(O)C(O)C1C(=O)O	1876.7	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,1TMS,isomer #5	C[Si](C)(C)N1C(=O)C(O)C(O)C(O)C1C(=O)O	1653.4	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,1TMS,isomer #5	C[Si](C)(C)N1C(=O)C(O)C(O)C(O)C1C(=O)O	3433.0	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TMS,isomer #1	C[Si](C)(C)OC1C(=O)NC(C(=O)O)C(O)C1O[Si](C)(C)C	1930.7	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TMS,isomer #1	C[Si](C)(C)OC1C(=O)NC(C(=O)O)C(O)C1O[Si](C)(C)C	1832.7	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TMS,isomer #1	C[Si](C)(C)OC1C(=O)NC(C(=O)O)C(O)C1O[Si](C)(C)C	3203.7	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TMS,isomer #10	C[Si](C)(C)OC(=O)C1C(O)C(O)C(O)C(=O)N1[Si](C)(C)C	1885.1	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TMS,isomer #10	C[Si](C)(C)OC(=O)C1C(O)C(O)C(O)C(=O)N1[Si](C)(C)C	1802.8	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TMS,isomer #10	C[Si](C)(C)OC(=O)C1C(O)C(O)C(O)C(=O)N1[Si](C)(C)C	2805.4	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TMS,isomer #2	C[Si](C)(C)OC(=O)C1NC(=O)C(O)C(O[Si](C)(C)C)C1O	1923.3	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TMS,isomer #2	C[Si](C)(C)OC(=O)C1NC(=O)C(O)C(O[Si](C)(C)C)C1O	1806.5	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TMS,isomer #2	C[Si](C)(C)OC(=O)C1NC(=O)C(O)C(O[Si](C)(C)C)C1O	3302.0	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TMS,isomer #3	C[Si](C)(C)OC1C(O)C(=O)NC(C(=O)O)C1O[Si](C)(C)C	1912.0	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TMS,isomer #3	C[Si](C)(C)OC1C(O)C(=O)NC(C(=O)O)C1O[Si](C)(C)C	1792.9	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TMS,isomer #3	C[Si](C)(C)OC1C(O)C(=O)NC(C(=O)O)C1O[Si](C)(C)C	3203.2	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TMS,isomer #4	C[Si](C)(C)OC1C(O)C(=O)N([Si](C)(C)C)C(C(=O)O)C1O	1915.1	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TMS,isomer #4	C[Si](C)(C)OC1C(O)C(=O)N([Si](C)(C)C)C(C(=O)O)C1O	1770.3	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TMS,isomer #4	C[Si](C)(C)OC1C(O)C(=O)N([Si](C)(C)C)C(C(=O)O)C1O	2801.6	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TMS,isomer #5	C[Si](C)(C)OC(=O)C1NC(=O)C(O)C(O)C1O[Si](C)(C)C	1903.3	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TMS,isomer #5	C[Si](C)(C)OC(=O)C1NC(=O)C(O)C(O)C1O[Si](C)(C)C	1810.4	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TMS,isomer #5	C[Si](C)(C)OC(=O)C1NC(=O)C(O)C(O)C1O[Si](C)(C)C	3099.5	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TMS,isomer #6	C[Si](C)(C)OC1C(=O)NC(C(=O)O)C(O[Si](C)(C)C)C1O	1931.1	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TMS,isomer #6	C[Si](C)(C)OC1C(=O)NC(C(=O)O)C(O[Si](C)(C)C)C1O	1829.9	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TMS,isomer #6	C[Si](C)(C)OC1C(=O)NC(C(=O)O)C(O[Si](C)(C)C)C1O	3041.9	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TMS,isomer #7	C[Si](C)(C)OC1C(O)C(O)C(=O)N([Si](C)(C)C)C1C(=O)O	1906.7	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TMS,isomer #7	C[Si](C)(C)OC1C(O)C(O)C(=O)N([Si](C)(C)C)C1C(=O)O	1772.6	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TMS,isomer #7	C[Si](C)(C)OC1C(O)C(O)C(=O)N([Si](C)(C)C)C1C(=O)O	2763.8	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TMS,isomer #8	C[Si](C)(C)OC(=O)C1NC(=O)C(O[Si](C)(C)C)C(O)C1O	1933.2	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TMS,isomer #8	C[Si](C)(C)OC(=O)C1NC(=O)C(O[Si](C)(C)C)C(O)C1O	1834.7	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TMS,isomer #8	C[Si](C)(C)OC(=O)C1NC(=O)C(O[Si](C)(C)C)C(O)C1O	3079.2	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TMS,isomer #9	C[Si](C)(C)OC1C(=O)N([Si](C)(C)C)C(C(=O)O)C(O)C1O	1926.1	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TMS,isomer #9	C[Si](C)(C)OC1C(=O)N([Si](C)(C)C)C(C(=O)O)C(O)C1O	1814.1	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TMS,isomer #9	C[Si](C)(C)OC1C(=O)N([Si](C)(C)C)C(C(=O)O)C(O)C1O	2778.3	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TMS,isomer #1	C[Si](C)(C)OC(=O)C1NC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	1969.5	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TMS,isomer #1	C[Si](C)(C)OC(=O)C1NC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	1918.3	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TMS,isomer #1	C[Si](C)(C)OC(=O)C1NC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2698.4	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TMS,isomer #10	C[Si](C)(C)OC(=O)C1C(O)C(O)C(O[Si](C)(C)C)C(=O)N1[Si](C)(C)C	1950.1	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TMS,isomer #10	C[Si](C)(C)OC(=O)C1C(O)C(O)C(O[Si](C)(C)C)C(=O)N1[Si](C)(C)C	1924.4	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TMS,isomer #10	C[Si](C)(C)OC(=O)C1C(O)C(O)C(O[Si](C)(C)C)C(=O)N1[Si](C)(C)C	2447.7	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TMS,isomer #2	C[Si](C)(C)OC1C(=O)NC(C(=O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	1979.1	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TMS,isomer #2	C[Si](C)(C)OC1C(=O)NC(C(=O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	1918.9	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TMS,isomer #2	C[Si](C)(C)OC1C(=O)NC(C(=O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2629.0	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TMS,isomer #3	C[Si](C)(C)OC1C(=O)N([Si](C)(C)C)C(C(=O)O)C(O)C1O[Si](C)(C)C	1991.2	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TMS,isomer #3	C[Si](C)(C)OC1C(=O)N([Si](C)(C)C)C(C(=O)O)C(O)C1O[Si](C)(C)C	1909.2	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TMS,isomer #3	C[Si](C)(C)OC1C(=O)N([Si](C)(C)C)C(C(=O)O)C(O)C1O[Si](C)(C)C	2475.0	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TMS,isomer #4	C[Si](C)(C)OC(=O)C1NC(=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	1952.1	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TMS,isomer #4	C[Si](C)(C)OC(=O)C1NC(=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	1888.4	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TMS,isomer #4	C[Si](C)(C)OC(=O)C1NC(=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2675.4	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TMS,isomer #5	C[Si](C)(C)OC(=O)C1C(O)C(O[Si](C)(C)C)C(O)C(=O)N1[Si](C)(C)C	1960.7	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TMS,isomer #5	C[Si](C)(C)OC(=O)C1C(O)C(O[Si](C)(C)C)C(O)C(=O)N1[Si](C)(C)C	1897.3	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TMS,isomer #5	C[Si](C)(C)OC(=O)C1C(O)C(O[Si](C)(C)C)C(O)C(=O)N1[Si](C)(C)C	2487.3	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TMS,isomer #6	C[Si](C)(C)OC1C(O)C(=O)N([Si](C)(C)C)C(C(=O)O)C1O[Si](C)(C)C	1982.1	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TMS,isomer #6	C[Si](C)(C)OC1C(O)C(=O)N([Si](C)(C)C)C(C(=O)O)C1O[Si](C)(C)C	1885.5	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TMS,isomer #6	C[Si](C)(C)OC1C(O)C(=O)N([Si](C)(C)C)C(C(=O)O)C1O[Si](C)(C)C	2448.4	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TMS,isomer #7	C[Si](C)(C)OC(=O)C1NC(=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	1965.6	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TMS,isomer #7	C[Si](C)(C)OC(=O)C1NC(=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	1936.9	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TMS,isomer #7	C[Si](C)(C)OC(=O)C1NC(=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2605.5	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TMS,isomer #8	C[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C)C(O)C(O)C(=O)N1[Si](C)(C)C	1951.5	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TMS,isomer #8	C[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C)C(O)C(O)C(=O)N1[Si](C)(C)C	1907.0	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TMS,isomer #8	C[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C)C(O)C(O)C(=O)N1[Si](C)(C)C	2434.7	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TMS,isomer #9	C[Si](C)(C)OC1C(=O)N([Si](C)(C)C)C(C(=O)O)C(O[Si](C)(C)C)C1O	1974.2	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TMS,isomer #9	C[Si](C)(C)OC1C(=O)N([Si](C)(C)C)C(C(=O)O)C(O[Si](C)(C)C)C1O	1909.1	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TMS,isomer #9	C[Si](C)(C)OC1C(=O)N([Si](C)(C)C)C(C(=O)O)C(O[Si](C)(C)C)C1O	2471.4	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)C1NC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2005.7	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)C1NC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2026.7	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)C1NC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2331.8	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,4TMS,isomer #2	C[Si](C)(C)OC(=O)C1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)N1[Si](C)(C)C	1992.9	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,4TMS,isomer #2	C[Si](C)(C)OC(=O)C1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)N1[Si](C)(C)C	2011.8	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,4TMS,isomer #2	C[Si](C)(C)OC(=O)C1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)N1[Si](C)(C)C	2247.7	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,4TMS,isomer #3	C[Si](C)(C)OC1C(=O)N([Si](C)(C)C)C(C(=O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2019.9	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,4TMS,isomer #3	C[Si](C)(C)OC1C(=O)N([Si](C)(C)C)C(C(=O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2006.8	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,4TMS,isomer #3	C[Si](C)(C)OC1C(=O)N([Si](C)(C)C)C(C(=O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2237.9	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,4TMS,isomer #4	C[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(=O)N1[Si](C)(C)C	1995.8	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,4TMS,isomer #4	C[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(=O)N1[Si](C)(C)C	2006.9	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,4TMS,isomer #4	C[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(=O)N1[Si](C)(C)C	2232.4	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,4TMS,isomer #5	C[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(=O)N1[Si](C)(C)C	1987.4	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,4TMS,isomer #5	C[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(=O)N1[Si](C)(C)C	2019.3	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,4TMS,isomer #5	C[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(=O)N1[Si](C)(C)C	2226.4	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,5TMS,isomer #1	C[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)N1[Si](C)(C)C	2048.9	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,5TMS,isomer #1	C[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)N1[Si](C)(C)C	2108.9	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,5TMS,isomer #1	C[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)N1[Si](C)(C)C	2043.2	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1C(O)C(=O)NC(C(=O)O)C1O	2175.4	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1C(O)C(=O)NC(C(=O)O)C1O	1980.3	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1C(O)C(=O)NC(C(=O)O)C1O	3994.8	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)NC(=O)C(O)C1O	2145.0	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)NC(=O)C(O)C1O	1985.6	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)NC(=O)C(O)C1O	3820.6	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(=O)NC(C(=O)O)C(O)C1O	2186.5	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(=O)NC(C(=O)O)C(O)C1O	2026.9	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(=O)NC(C(=O)O)C(O)C1O	3801.8	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C1NC(=O)C(O)C(O)C1O	2163.9	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C1NC(=O)C(O)C(O)C1O	1984.1	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C1NC(=O)C(O)C(O)C1O	3850.9	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N1C(=O)C(O)C(O)C(O)C1C(=O)O	2182.5	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N1C(=O)C(O)C(O)C(O)C1C(=O)O	1903.4	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N1C(=O)C(O)C(O)C(O)C1C(=O)O	3415.5	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1C(=O)NC(C(=O)O)C(O)C1O[Si](C)(C)C(C)(C)C	2394.2	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1C(=O)NC(C(=O)O)C(O)C1O[Si](C)(C)C(C)(C)C	2303.0	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1C(=O)NC(C(=O)O)C(O)C1O[Si](C)(C)C(C)(C)C	3149.1	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)C1C(O)C(O)C(O)C(=O)N1[Si](C)(C)C(C)(C)C	2385.1	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)C1C(O)C(O)C(O)C(=O)N1[Si](C)(C)C(C)(C)C	2288.1	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)C1C(O)C(O)C(O)C(=O)N1[Si](C)(C)C(C)(C)C	2851.3	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C1NC(=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	2388.0	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C1NC(=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	2263.2	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C1NC(=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3195.1	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(O)C(=O)NC(C(=O)O)C1O[Si](C)(C)C(C)(C)C	2368.6	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(O)C(=O)NC(C(=O)O)C1O[Si](C)(C)C(C)(C)C	2253.9	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(O)C(=O)NC(C(=O)O)C1O[Si](C)(C)C(C)(C)C	3151.1	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(O)C(=O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C1O	2420.2	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(O)C(=O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C1O	2249.2	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(O)C(=O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C1O	2884.5	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C1NC(=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	2368.0	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C1NC(=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	2272.7	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C1NC(=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3035.8	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(=O)NC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O	2400.6	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(=O)NC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O	2302.5	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(=O)NC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O	3034.5	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(O)C(O)C(=O)N([Si](C)(C)C(C)(C)C)C1C(=O)O	2394.6	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(O)C(O)C(=O)N([Si](C)(C)C(C)(C)C)C1C(=O)O	2254.2	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(O)C(O)C(=O)N([Si](C)(C)C(C)(C)C)C1C(=O)O	2854.4	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C1NC(=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	2383.7	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C1NC(=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	2303.5	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C1NC(=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3027.0	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(=O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C(O)C1O	2424.9	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(=O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C(O)C1O	2295.1	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(=O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C(O)C1O	2858.9	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1NC(=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	2599.7	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1NC(=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	2553.9	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1NC(=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	2872.0	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)C1C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)N1[Si](C)(C)C(C)(C)C	2614.8	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)C1C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)N1[Si](C)(C)C(C)(C)C	2599.9	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)C1C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)N1[Si](C)(C)C(C)(C)C	2718.0	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(=O)NC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2594.1	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(=O)NC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2554.6	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(=O)NC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2839.1	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(=O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C(O)C1O[Si](C)(C)C(C)(C)C	2659.3	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(=O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C(O)C1O[Si](C)(C)C(C)(C)C	2571.3	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(=O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C(O)C1O[Si](C)(C)C(C)(C)C	2746.9	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C1NC(=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2588.4	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C1NC(=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2522.1	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C1NC(=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2861.9	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C1C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)N1[Si](C)(C)C(C)(C)C	2628.5	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C1C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)N1[Si](C)(C)C(C)(C)C	2569.0	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C1C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)N1[Si](C)(C)C(C)(C)C	2747.5	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(O)C(=O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C1O[Si](C)(C)C(C)(C)C	2653.9	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(O)C(=O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C1O[Si](C)(C)C(C)(C)C	2551.1	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(O)C(=O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C1O[Si](C)(C)C(C)(C)C	2735.7	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C1NC(=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	2613.6	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C1NC(=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	2566.1	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C1NC(=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	2800.1	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(=O)N1[Si](C)(C)C(C)(C)C	2622.6	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(=O)N1[Si](C)(C)C(C)(C)C	2582.9	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(=O)N1[Si](C)(C)C(C)(C)C	2714.9	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(=O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O	2650.1	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(=O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O	2571.5	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(=O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O	2740.2	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1NC(=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2801.6	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1NC(=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2775.4	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1NC(=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2713.7	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C1C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)N1[Si](C)(C)C(C)(C)C	2871.1	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C1C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)N1[Si](C)(C)C(C)(C)C	2832.5	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C1C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)N1[Si](C)(C)C(C)(C)C	2660.4	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(=O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2907.1	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(=O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2810.9	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(=O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2656.9	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)N1[Si](C)(C)C(C)(C)C	2882.8	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)N1[Si](C)(C)C(C)(C)C	2834.8	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)N1[Si](C)(C)C(C)(C)C	2651.9	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)N1[Si](C)(C)C(C)(C)C	2875.6	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)N1[Si](C)(C)C(C)(C)C	2839.1	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)N1[Si](C)(C)C(C)(C)C	2640.0	Standard polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)N1[Si](C)(C)C(C)(C)C	3100.1	Semi standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)N1[Si](C)(C)C(C)(C)C	3043.1	Standard non polar	33892256
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)N1[Si](C)(C)C(C)(C)C	2605.4	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - (2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid GC-MS (Non-derivatized) - 70eV, Positive	splash10-0fk9-9800000000-f2b3a326232cfe76d007	2021-09-23	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid 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 - (2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid 10V, Positive-QTOF	splash10-0006-0900000000-e617e41efc691222c8ca	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid 20V, Positive-QTOF	splash10-0005-3900000000-bddd49ac3e2d91a99a88	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid 40V, Positive-QTOF	splash10-0a4l-9000000000-306a0be457af64f04e81	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid 10V, Negative-QTOF	splash10-0006-1900000000-a2eab85d979ffc4530b5	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid 20V, Negative-QTOF	splash10-00dl-7900000000-93d71ba3fcebea7e9e82	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid 40V, Negative-QTOF	splash10-0abc-9000000000-6006c09ab0a378206b4c	2021-10-12	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

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

Not Available

KNApSAcK ID

Not Available

Chemspider ID

14129228

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

451784

PDB ID

Not Available

ChEBI ID

Not Available

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

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for (2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid (HMDB0242545)

MOL for HMDB0242545 ((2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid)

3D MOL for HMDB0242545 ((2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid)

3D SDF for HMDB0242545 ((2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid)

3D-SDF for HMDB0242545 ((2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid)

PDB for HMDB0242545 ((2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid)

3D PDB for HMDB0242545 ((2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid)

SMILES for HMDB0242545 ((2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid)

INCHI for HMDB0242545 ((2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid)

Structure for HMDB0242545 ((2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid)

3D Structure for HMDB0242545 ((2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra