Hmdb loader

Showing metabocard for Glutamamide (HMDB0252803)

Jump To Section:
IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesXML
Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 10:52:56 UTC
Update Date2021-09-26 23:05:38 UTC
HMDB IDHMDB0252803
Secondary Accession NumbersNone
Metabolite Identification
Common NameGlutamamide
DescriptionGlutamamide belongs to the class of organic compounds known as glutamine and derivatives. Glutamine and derivatives are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Based on a literature review a significant number of articles have been published on Glutamamide. This compound has been identified in human blood as reported by (PMID: 31557052 ). Glutamamide is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Glutamamide 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
Thumb
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0252803 (Glutamamide)


  Mrv1652309112112532D          

 10  9  0  0  0  0            999 V2000
    3.9039    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8414    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
    1.7605    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.6039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    0.6039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    2.6664    0.0000 N   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  2  0  0  0  0
  3  5  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
Download

3D MOL for HMDB0252803 (Glutamamide)

HMDB0252803
     RDKit          3D
Glutamamide
 21 20  0  0  0  0  0  0  0  0999 V2000
    3.2225    1.2667    0.3051 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2987    0.1889    0.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7830   -0.9686    0.3224 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8392    0.4940    0.2728 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1220   -0.8122    0.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3809   -0.7248    0.2544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8547   -2.0984    0.2606 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9345    0.0586   -0.8444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6368    1.4352   -1.0246 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7236   -0.4391   -1.7176 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1161    2.0247    1.0051 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9993    1.3116   -0.3757 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6659    1.0081   -0.7185 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5372    1.1792    1.0743 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4779   -1.3908    1.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5088   -1.3886   -0.6179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6955   -0.2749    1.2151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4220   -2.6196    1.0542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8720   -2.1845    0.1845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7793    2.1199   -0.2341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2714    1.8147   -1.9330 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  2  0
  1 11  1  0
  1 12  1  0
  4 13  1  0
  4 14  1  0
  5 15  1  0
  5 16  1  0
  6 17  1  0
  7 18  1  0
  7 19  1  0
  9 20  1  0
  9 21  1  0
M  END
Download

3D SDF for HMDB0252803 (Glutamamide)


  Mrv1652309112112532D          

 10  9  0  0  0  0            999 V2000
    3.9039    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8414    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
    1.7605    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.6039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    0.6039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    2.6664    0.0000 N   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  2  0  0  0  0
  3  5  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0252803

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(CCC(N)=O)C(N)=O

> <INCHI_IDENTIFIER>
InChI=1S/C5H11N3O2/c6-3(5(8)10)1-2-4(7)9/h3H,1-2,6H2,(H2,7,9)(H2,8,10)

> <INCHI_KEY>
LCGISIDBXHGCDW-UHFFFAOYSA-N

> <FORMULA>
C5H11N3O2

> <MOLECULAR_WEIGHT>
145.162

> <EXACT_MASS>
145.085126606

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
21

> <JCHEM_AVERAGE_POLARIZABILITY>
14.21658223659962

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-aminopentanediamide

> <ALOGPS_LOGP>
-2.68

> <JCHEM_LOGP>
-2.5457472469999995

> <ALOGPS_LOGS>
-0.27

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
16.288701683324735

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.857336477663111

> <JCHEM_PKA_STRONGEST_BASIC>
8.23267529519526

> <JCHEM_POLAR_SURFACE_AREA>
112.2

> <JCHEM_REFRACTIVITY>
34.9321

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.85e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-aminopentanediamide

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0252803 (Glutamamide)

HMDB0252803
     RDKit          3D
Glutamamide
 21 20  0  0  0  0  0  0  0  0999 V2000
    3.2225    1.2667    0.3051 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2987    0.1889    0.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7830   -0.9686    0.3224 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8392    0.4940    0.2728 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1220   -0.8122    0.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3809   -0.7248    0.2544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8547   -2.0984    0.2606 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9345    0.0586   -0.8444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6368    1.4352   -1.0246 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7236   -0.4391   -1.7176 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1161    2.0247    1.0051 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9993    1.3116   -0.3757 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6659    1.0081   -0.7185 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5372    1.1792    1.0743 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4779   -1.3908    1.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5088   -1.3886   -0.6179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6955   -0.2749    1.2151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4220   -2.6196    1.0542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8720   -2.1845    0.1845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7793    2.1199   -0.2341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2714    1.8147   -1.9330 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  2  0
  1 11  1  0
  1 12  1  0
  4 13  1  0
  4 14  1  0
  5 15  1  0
  5 16  1  0
  6 17  1  0
  7 18  1  0
  7 19  1  0
  9 20  1  0
  9 21  1  0
M  END
Download

PDB for HMDB0252803 (Glutamamide)

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0       7.287   2.667   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.954   3.437   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.620   2.667   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       3.286   3.437   0.000  0.00  0.00           O+0
HETATM    5  N   UNK     0       4.620   1.127   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0       8.621   3.437   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.955   2.667   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      11.288   3.437   0.000  0.00  0.00           O+0
HETATM    9  N   UNK     0       9.955   1.127   0.000  0.00  0.00           N+0
HETATM   10  N   UNK     0       8.621   4.977   0.000  0.00  0.00           N+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3                                                            
CONECT    6    1    7   10                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    6                                                            
MASTER        0    0    0    0    0    0    0    0   10    0   18    0
END
Download

3D PDB for HMDB0252803 (Glutamamide)

COMPND    HMDB0252803
HETATM    1  N1  UNL     1       3.222   1.267   0.305  1.00  0.00           N  
HETATM    2  C1  UNL     1       2.299   0.189   0.301  1.00  0.00           C  
HETATM    3  O1  UNL     1       2.783  -0.969   0.322  1.00  0.00           O  
HETATM    4  C2  UNL     1       0.839   0.494   0.273  1.00  0.00           C  
HETATM    5  C3  UNL     1       0.122  -0.812   0.275  1.00  0.00           C  
HETATM    6  C4  UNL     1      -1.381  -0.725   0.254  1.00  0.00           C  
HETATM    7  N2  UNL     1      -1.855  -2.098   0.261  1.00  0.00           N  
HETATM    8  C5  UNL     1      -1.934   0.059  -0.844  1.00  0.00           C  
HETATM    9  N3  UNL     1      -1.637   1.435  -1.025  1.00  0.00           N  
HETATM   10  O2  UNL     1      -2.724  -0.439  -1.718  1.00  0.00           O  
HETATM   11  H1  UNL     1       3.116   2.025   1.005  1.00  0.00           H  
HETATM   12  H2  UNL     1       3.999   1.312  -0.376  1.00  0.00           H  
HETATM   13  H3  UNL     1       0.666   1.008  -0.719  1.00  0.00           H  
HETATM   14  H4  UNL     1       0.537   1.179   1.074  1.00  0.00           H  
HETATM   15  H5  UNL     1       0.478  -1.391   1.149  1.00  0.00           H  
HETATM   16  H6  UNL     1       0.509  -1.389  -0.618  1.00  0.00           H  
HETATM   17  H7  UNL     1      -1.695  -0.275   1.215  1.00  0.00           H  
HETATM   18  H8  UNL     1      -1.422  -2.620   1.054  1.00  0.00           H  
HETATM   19  H9  UNL     1      -2.872  -2.185   0.185  1.00  0.00           H  
HETATM   20  H10 UNL     1      -1.779   2.120  -0.234  1.00  0.00           H  
HETATM   21  H11 UNL     1      -1.271   1.815  -1.933  1.00  0.00           H  
CONECT    1    2   11   12
CONECT    2    3    3    4
CONECT    4    5   13   14
CONECT    5    6   15   16
CONECT    6    7    8   17
CONECT    7   18   19
CONECT    8    9   10   10
CONECT    9   20   21
END
Download

SMILES for HMDB0252803 (Glutamamide)

NC(CCC(N)=O)C(N)=O
Download

INCHI for HMDB0252803 (Glutamamide)

InChI=1S/C5H11N3O2/c6-3(5(8)10)1-2-4(7)9/h3H,1-2,6H2,(H2,7,9)(H2,8,10)
Download
View in JSmolView NMR AssignmentsView Stereo Labels
SynonymsNot Available
Chemical FormulaC5H11N3O2
Average Molecular Weight145.162
Monoisotopic Molecular Weight145.085126606
IUPAC Name2-aminopentanediamide
Traditional Name2-aminopentanediamide
CAS Registry NumberNot Available
SMILES
NC(CCC(N)=O)C(N)=O
InChI Identifier
InChI=1S/C5H11N3O2/c6-3(5(8)10)1-2-4(7)9/h3H,1-2,6H2,(H2,7,9)(H2,8,10)
InChI KeyLCGISIDBXHGCDW-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as glutamine and derivatives. Glutamine and derivatives are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentGlutamine and derivatives
Alternative Parents
Substituents
  • Glutamine or derivatives
  • Alpha-amino acid amide
  • Fatty amide
  • Fatty acyl
  • Carboxamide group
  • Primary carboxylic acid amide
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Organic oxide
  • Organic oxygen compound
  • Carbonyl group
  • Amine
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological location
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-2.7ALOGPS
logP-2.5ChemAxon
logS-0.27ALOGPS
pKa (Strongest Acidic)15.86ChemAxon
pKa (Strongest Basic)8.23ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area112.2 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity34.93 m³·mol⁻¹ChemAxon
Polarizability14.22 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+133.71430932474
DeepCCS[M-H]-131.74330932474
DeepCCS[M-2H]-167.66230932474
DeepCCS[M+Na]+142.27930932474
AllCCS[M+H]+132.932859911
AllCCS[M+H-H2O]+128.932859911
AllCCS[M+NH4]+136.632859911
AllCCS[M+Na]+137.732859911
AllCCS[M-H]-125.932859911
AllCCS[M+Na-2H]-128.032859911
AllCCS[M+HCOO]-130.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
GlutamamideNC(CCC(N)=O)C(N)=O2058.2Standard polar33892256
GlutamamideNC(CCC(N)=O)C(N)=O1403.2Standard non polar33892256
GlutamamideNC(CCC(N)=O)C(N)=O1781.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Glutamamide,1TMS,isomer #1C[Si](C)(C)NC(CCC(N)=O)C(N)=O1769.9Semi standard non polar33892256
Glutamamide,1TMS,isomer #1C[Si](C)(C)NC(CCC(N)=O)C(N)=O1623.1Standard non polar33892256
Glutamamide,1TMS,isomer #1C[Si](C)(C)NC(CCC(N)=O)C(N)=O3311.0Standard polar33892256
Glutamamide,1TMS,isomer #2C[Si](C)(C)NC(=O)CCC(N)C(N)=O1740.0Semi standard non polar33892256
Glutamamide,1TMS,isomer #2C[Si](C)(C)NC(=O)CCC(N)C(N)=O1627.1Standard non polar33892256
Glutamamide,1TMS,isomer #2C[Si](C)(C)NC(=O)CCC(N)C(N)=O3580.9Standard polar33892256
Glutamamide,1TMS,isomer #3C[Si](C)(C)NC(=O)C(N)CCC(N)=O1728.0Semi standard non polar33892256
Glutamamide,1TMS,isomer #3C[Si](C)(C)NC(=O)C(N)CCC(N)=O1645.4Standard non polar33892256
Glutamamide,1TMS,isomer #3C[Si](C)(C)NC(=O)C(N)CCC(N)=O3349.5Standard polar33892256
Glutamamide,2TMS,isomer #1C[Si](C)(C)NC(=O)CCC(N[Si](C)(C)C)C(N)=O1881.3Semi standard non polar33892256
Glutamamide,2TMS,isomer #1C[Si](C)(C)NC(=O)CCC(N[Si](C)(C)C)C(N)=O1783.6Standard non polar33892256
Glutamamide,2TMS,isomer #1C[Si](C)(C)NC(=O)CCC(N[Si](C)(C)C)C(N)=O2914.2Standard polar33892256
Glutamamide,2TMS,isomer #2C[Si](C)(C)NC(=O)C(CCC(N)=O)N[Si](C)(C)C1842.1Semi standard non polar33892256
Glutamamide,2TMS,isomer #2C[Si](C)(C)NC(=O)C(CCC(N)=O)N[Si](C)(C)C1798.2Standard non polar33892256
Glutamamide,2TMS,isomer #2C[Si](C)(C)NC(=O)C(CCC(N)=O)N[Si](C)(C)C2772.3Standard polar33892256
Glutamamide,2TMS,isomer #3C[Si](C)(C)N(C(CCC(N)=O)C(N)=O)[Si](C)(C)C1964.9Semi standard non polar33892256
Glutamamide,2TMS,isomer #3C[Si](C)(C)N(C(CCC(N)=O)C(N)=O)[Si](C)(C)C1825.6Standard non polar33892256
Glutamamide,2TMS,isomer #3C[Si](C)(C)N(C(CCC(N)=O)C(N)=O)[Si](C)(C)C3251.8Standard polar33892256
Glutamamide,2TMS,isomer #4C[Si](C)(C)NC(=O)CCC(N)C(=O)N[Si](C)(C)C1857.2Semi standard non polar33892256
Glutamamide,2TMS,isomer #4C[Si](C)(C)NC(=O)CCC(N)C(=O)N[Si](C)(C)C1789.5Standard non polar33892256
Glutamamide,2TMS,isomer #4C[Si](C)(C)NC(=O)CCC(N)C(=O)N[Si](C)(C)C2952.6Standard polar33892256
Glutamamide,2TMS,isomer #5C[Si](C)(C)N(C(=O)CCC(N)C(N)=O)[Si](C)(C)C1878.1Semi standard non polar33892256
Glutamamide,2TMS,isomer #5C[Si](C)(C)N(C(=O)CCC(N)C(N)=O)[Si](C)(C)C1769.5Standard non polar33892256
Glutamamide,2TMS,isomer #5C[Si](C)(C)N(C(=O)CCC(N)C(N)=O)[Si](C)(C)C3622.1Standard polar33892256
Glutamamide,2TMS,isomer #6C[Si](C)(C)N(C(=O)C(N)CCC(N)=O)[Si](C)(C)C1871.7Semi standard non polar33892256
Glutamamide,2TMS,isomer #6C[Si](C)(C)N(C(=O)C(N)CCC(N)=O)[Si](C)(C)C1833.0Standard non polar33892256
Glutamamide,2TMS,isomer #6C[Si](C)(C)N(C(=O)C(N)CCC(N)=O)[Si](C)(C)C3217.9Standard polar33892256
Glutamamide,3TMS,isomer #1C[Si](C)(C)NC(=O)CCC(N[Si](C)(C)C)C(=O)N[Si](C)(C)C1921.3Semi standard non polar33892256
Glutamamide,3TMS,isomer #1C[Si](C)(C)NC(=O)CCC(N[Si](C)(C)C)C(=O)N[Si](C)(C)C1875.5Standard non polar33892256
Glutamamide,3TMS,isomer #1C[Si](C)(C)NC(=O)CCC(N[Si](C)(C)C)C(=O)N[Si](C)(C)C2303.4Standard polar33892256
Glutamamide,3TMS,isomer #2C[Si](C)(C)NC(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(N)=O1982.0Semi standard non polar33892256
Glutamamide,3TMS,isomer #2C[Si](C)(C)NC(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(N)=O1873.1Standard non polar33892256
Glutamamide,3TMS,isomer #2C[Si](C)(C)NC(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(N)=O2768.7Standard polar33892256
Glutamamide,3TMS,isomer #3C[Si](C)(C)NC(=O)CCC(C(N)=O)N([Si](C)(C)C)[Si](C)(C)C2038.8Semi standard non polar33892256
Glutamamide,3TMS,isomer #3C[Si](C)(C)NC(=O)CCC(C(N)=O)N([Si](C)(C)C)[Si](C)(C)C1949.3Standard non polar33892256
Glutamamide,3TMS,isomer #3C[Si](C)(C)NC(=O)CCC(C(N)=O)N([Si](C)(C)C)[Si](C)(C)C2636.4Standard polar33892256
Glutamamide,3TMS,isomer #4C[Si](C)(C)NC(CCC(N)=O)C(=O)N([Si](C)(C)C)[Si](C)(C)C1948.2Semi standard non polar33892256
Glutamamide,3TMS,isomer #4C[Si](C)(C)NC(CCC(N)=O)C(=O)N([Si](C)(C)C)[Si](C)(C)C1932.8Standard non polar33892256
Glutamamide,3TMS,isomer #4C[Si](C)(C)NC(CCC(N)=O)C(=O)N([Si](C)(C)C)[Si](C)(C)C2595.2Standard polar33892256
Glutamamide,3TMS,isomer #5C[Si](C)(C)NC(=O)C(CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C1979.5Semi standard non polar33892256
Glutamamide,3TMS,isomer #5C[Si](C)(C)NC(=O)C(CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C1937.6Standard non polar33892256
Glutamamide,3TMS,isomer #5C[Si](C)(C)NC(=O)C(CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C2626.1Standard polar33892256
Glutamamide,3TMS,isomer #6C[Si](C)(C)NC(=O)C(N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C1962.8Semi standard non polar33892256
Glutamamide,3TMS,isomer #6C[Si](C)(C)NC(=O)C(N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C1868.5Standard non polar33892256
Glutamamide,3TMS,isomer #6C[Si](C)(C)NC(=O)C(N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C2764.3Standard polar33892256
Glutamamide,3TMS,isomer #7C[Si](C)(C)NC(=O)CCC(N)C(=O)N([Si](C)(C)C)[Si](C)(C)C1931.8Semi standard non polar33892256
Glutamamide,3TMS,isomer #7C[Si](C)(C)NC(=O)CCC(N)C(=O)N([Si](C)(C)C)[Si](C)(C)C1932.6Standard non polar33892256
Glutamamide,3TMS,isomer #7C[Si](C)(C)NC(=O)CCC(N)C(=O)N([Si](C)(C)C)[Si](C)(C)C2545.9Standard polar33892256
Glutamamide,4TMS,isomer #1C[Si](C)(C)NC(=O)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C1971.1Semi standard non polar33892256
Glutamamide,4TMS,isomer #1C[Si](C)(C)NC(=O)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C1946.9Standard non polar33892256
Glutamamide,4TMS,isomer #1C[Si](C)(C)NC(=O)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C2156.2Standard polar33892256
Glutamamide,4TMS,isomer #2C[Si](C)(C)NC(=O)CCC(C(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2028.7Semi standard non polar33892256
Glutamamide,4TMS,isomer #2C[Si](C)(C)NC(=O)CCC(C(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2004.8Standard non polar33892256
Glutamamide,4TMS,isomer #2C[Si](C)(C)NC(=O)CCC(C(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2170.6Standard polar33892256
Glutamamide,4TMS,isomer #3C[Si](C)(C)NC(=O)CCC(N[Si](C)(C)C)C(=O)N([Si](C)(C)C)[Si](C)(C)C1981.7Semi standard non polar33892256
Glutamamide,4TMS,isomer #3C[Si](C)(C)NC(=O)CCC(N[Si](C)(C)C)C(=O)N([Si](C)(C)C)[Si](C)(C)C2000.5Standard non polar33892256
Glutamamide,4TMS,isomer #3C[Si](C)(C)NC(=O)CCC(N[Si](C)(C)C)C(=O)N([Si](C)(C)C)[Si](C)(C)C2126.4Standard polar33892256
Glutamamide,4TMS,isomer #4C[Si](C)(C)N(C(=O)CCC(C(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2112.3Semi standard non polar33892256
Glutamamide,4TMS,isomer #4C[Si](C)(C)N(C(=O)CCC(C(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2053.6Standard non polar33892256
Glutamamide,4TMS,isomer #4C[Si](C)(C)N(C(=O)CCC(C(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2515.0Standard polar33892256
Glutamamide,4TMS,isomer #5C[Si](C)(C)N(C(=O)C(CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2074.4Semi standard non polar33892256
Glutamamide,4TMS,isomer #5C[Si](C)(C)N(C(=O)C(CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2063.0Standard non polar33892256
Glutamamide,4TMS,isomer #5C[Si](C)(C)N(C(=O)C(CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2472.3Standard polar33892256
Glutamamide,4TMS,isomer #6C[Si](C)(C)N(C(=O)CCC(N)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2040.9Semi standard non polar33892256
Glutamamide,4TMS,isomer #6C[Si](C)(C)N(C(=O)CCC(N)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2043.8Standard non polar33892256
Glutamamide,4TMS,isomer #6C[Si](C)(C)N(C(=O)CCC(N)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2415.3Standard polar33892256
Glutamamide,5TMS,isomer #1C[Si](C)(C)NC(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([Si](C)(C)C)[Si](C)(C)C2103.4Semi standard non polar33892256
Glutamamide,5TMS,isomer #1C[Si](C)(C)NC(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([Si](C)(C)C)[Si](C)(C)C2102.8Standard non polar33892256
Glutamamide,5TMS,isomer #1C[Si](C)(C)NC(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([Si](C)(C)C)[Si](C)(C)C2025.4Standard polar33892256
Glutamamide,5TMS,isomer #2C[Si](C)(C)NC(=O)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2152.7Semi standard non polar33892256
Glutamamide,5TMS,isomer #2C[Si](C)(C)NC(=O)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2094.6Standard non polar33892256
Glutamamide,5TMS,isomer #2C[Si](C)(C)NC(=O)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2075.4Standard polar33892256
Glutamamide,5TMS,isomer #3C[Si](C)(C)NC(=O)CCC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2162.4Semi standard non polar33892256
Glutamamide,5TMS,isomer #3C[Si](C)(C)NC(=O)CCC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2128.6Standard non polar33892256
Glutamamide,5TMS,isomer #3C[Si](C)(C)NC(=O)CCC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2054.4Standard polar33892256
Glutamamide,6TMS,isomer #1C[Si](C)(C)N(C(=O)CCC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2305.3Semi standard non polar33892256
Glutamamide,6TMS,isomer #1C[Si](C)(C)N(C(=O)CCC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2234.6Standard non polar33892256
Glutamamide,6TMS,isomer #1C[Si](C)(C)N(C(=O)CCC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1987.5Standard polar33892256
Glutamamide,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CCC(N)=O)C(N)=O1997.0Semi standard non polar33892256
Glutamamide,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CCC(N)=O)C(N)=O1876.2Standard non polar33892256
Glutamamide,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CCC(N)=O)C(N)=O3413.5Standard polar33892256
Glutamamide,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)CCC(N)C(N)=O1970.6Semi standard non polar33892256
Glutamamide,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)CCC(N)C(N)=O1857.9Standard non polar33892256
Glutamamide,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)CCC(N)C(N)=O3654.2Standard polar33892256
Glutamamide,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)C(N)CCC(N)=O1957.8Semi standard non polar33892256
Glutamamide,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)C(N)CCC(N)=O1872.9Standard non polar33892256
Glutamamide,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)C(N)CCC(N)=O3422.8Standard polar33892256
Glutamamide,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(N)=O2362.7Semi standard non polar33892256
Glutamamide,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(N)=O2207.5Standard non polar33892256
Glutamamide,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(N)=O2905.7Standard polar33892256
Glutamamide,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)C(CCC(N)=O)N[Si](C)(C)C(C)(C)C2310.8Semi standard non polar33892256
Glutamamide,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)C(CCC(N)=O)N[Si](C)(C)C(C)(C)C2221.8Standard non polar33892256
Glutamamide,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)C(CCC(N)=O)N[Si](C)(C)C(C)(C)C2765.1Standard polar33892256
Glutamamide,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(C(CCC(N)=O)C(N)=O)[Si](C)(C)C(C)(C)C2376.2Semi standard non polar33892256
Glutamamide,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(C(CCC(N)=O)C(N)=O)[Si](C)(C)C(C)(C)C2233.5Standard non polar33892256
Glutamamide,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(C(CCC(N)=O)C(N)=O)[Si](C)(C)C(C)(C)C3189.3Standard polar33892256
Glutamamide,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=O)CCC(N)C(=O)N[Si](C)(C)C(C)(C)C2347.0Semi standard non polar33892256
Glutamamide,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=O)CCC(N)C(=O)N[Si](C)(C)C(C)(C)C2198.9Standard non polar33892256
Glutamamide,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=O)CCC(N)C(=O)N[Si](C)(C)C(C)(C)C2889.7Standard polar33892256
Glutamamide,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(=O)CCC(N)C(N)=O)[Si](C)(C)C(C)(C)C2297.7Semi standard non polar33892256
Glutamamide,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(=O)CCC(N)C(N)=O)[Si](C)(C)C(C)(C)C2205.6Standard non polar33892256
Glutamamide,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(=O)CCC(N)C(N)=O)[Si](C)(C)C(C)(C)C3505.7Standard polar33892256
Glutamamide,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N(C(=O)C(N)CCC(N)=O)[Si](C)(C)C(C)(C)C2296.6Semi standard non polar33892256
Glutamamide,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N(C(=O)C(N)CCC(N)=O)[Si](C)(C)C(C)(C)C2213.8Standard non polar33892256
Glutamamide,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N(C(=O)C(N)CCC(N)=O)[Si](C)(C)C(C)(C)C3112.2Standard polar33892256
Glutamamide,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)N[Si](C)(C)C(C)(C)C2591.0Semi standard non polar33892256
Glutamamide,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)N[Si](C)(C)C(C)(C)C2445.5Standard non polar33892256
Glutamamide,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)N[Si](C)(C)C(C)(C)C2488.9Standard polar33892256
Glutamamide,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)=O2640.9Semi standard non polar33892256
Glutamamide,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)=O2507.1Standard non polar33892256
Glutamamide,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)=O2804.9Standard polar33892256
Glutamamide,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)CCC(C(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2683.4Semi standard non polar33892256
Glutamamide,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)CCC(C(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2524.9Standard non polar33892256
Glutamamide,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)CCC(C(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2719.3Standard polar33892256
Glutamamide,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(CCC(N)=O)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2619.5Semi standard non polar33892256
Glutamamide,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(CCC(N)=O)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2536.9Standard non polar33892256
Glutamamide,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(CCC(N)=O)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2682.4Standard polar33892256
Glutamamide,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=O)C(CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2635.9Semi standard non polar33892256
Glutamamide,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=O)C(CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2518.2Standard non polar33892256
Glutamamide,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=O)C(CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2705.2Standard polar33892256
Glutamamide,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(=O)C(N)CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2626.3Semi standard non polar33892256
Glutamamide,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(=O)C(N)CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2500.0Standard non polar33892256
Glutamamide,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(=O)C(N)CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2773.6Standard polar33892256
Glutamamide,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(=O)CCC(N)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2611.8Semi standard non polar33892256
Glutamamide,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(=O)CCC(N)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2513.1Standard non polar33892256
Glutamamide,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(=O)CCC(N)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2640.1Standard polar33892256
Glutamamide,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)C(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2862.6Semi standard non polar33892256
Glutamamide,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)C(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2702.6Standard non polar33892256
Glutamamide,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)C(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2528.9Standard polar33892256
Glutamamide,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)CCC(C(=O)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2896.9Semi standard non polar33892256
Glutamamide,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)CCC(C(=O)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2712.6Standard non polar33892256
Glutamamide,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)CCC(C(=O)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2538.5Standard polar33892256
Glutamamide,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2865.6Semi standard non polar33892256
Glutamamide,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2731.8Standard non polar33892256
Glutamamide,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2513.6Standard polar33892256
Glutamamide,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(C(=O)CCC(C(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2944.3Semi standard non polar33892256
Glutamamide,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(C(=O)CCC(C(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2805.9Standard non polar33892256
Glutamamide,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(C(=O)CCC(C(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2741.8Standard polar33892256
Glutamamide,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(=O)C(CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2927.0Semi standard non polar33892256
Glutamamide,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(=O)C(CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2802.4Standard non polar33892256
Glutamamide,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(=O)C(CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2716.0Standard polar33892256
Glutamamide,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N(C(=O)CCC(N)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2878.3Semi standard non polar33892256
Glutamamide,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N(C(=O)CCC(N)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2779.6Standard non polar33892256
Glutamamide,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N(C(=O)CCC(N)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2663.1Standard polar33892256
Glutamamide,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3133.6Semi standard non polar33892256
Glutamamide,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2969.9Standard non polar33892256
Glutamamide,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2530.7Standard polar33892256
Glutamamide,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)C(CCC(=O)N([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)C3157.8Semi standard non polar33892256
Glutamamide,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)C(CCC(=O)N([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)C2956.4Standard non polar33892256
Glutamamide,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)C(CCC(=O)N([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)C2556.0Standard polar33892256
Glutamamide,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)CCC(C(=O)N([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)C3154.9Semi standard non polar33892256
Glutamamide,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)CCC(C(=O)N([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)C2971.3Standard non polar33892256
Glutamamide,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)CCC(C(=O)N([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)C2546.4Standard polar33892256
Glutamamide,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C(=O)CCC(C(=O)N([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)[Si](C)(C)C(C)(C)C3436.5Semi standard non polar33892256
Glutamamide,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C(=O)CCC(C(=O)N([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)[Si](C)(C)C(C)(C)C3220.0Standard non polar33892256
Glutamamide,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C(=O)CCC(C(=O)N([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)[Si](C)(C)C(C)(C)C2592.3Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Glutamamide GC-MS (Non-derivatized) - 70eV, Positivesplash10-0k9x-9300000000-2e710addcfb1dce3c6bf2021-09-23Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glutamamide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamamide 10V, Positive-QTOFsplash10-0fb9-0900000000-b277c9de979fdfe77f082021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamamide 20V, Positive-QTOFsplash10-0f89-9600000000-dc7575ffdda8e4bcbc632021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamamide 40V, Positive-QTOFsplash10-0a59-9000000000-2c5afed145bb0e0c865c2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamamide 10V, Negative-QTOFsplash10-004i-0900000000-80d817d7ced8f8d235002021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamamide 20V, Negative-QTOFsplash10-0006-7900000000-15a4f5e55de93796f09a2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamamide 40V, Negative-QTOFsplash10-0006-9000000000-7804b8fb1596ee856ba62021-10-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID2283319
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound3015113
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]