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Showing metabocard for L-Oxalylalbizziine (HMDB0039164)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 00:31:58 UTC
Update Date2022-03-07 02:56:05 UTC
HMDB IDHMDB0039164
Secondary Accession Numbers
  • HMDB39164
Metabolite Identification
Common NameL-Oxalylalbizziine
DescriptionL-Oxalylalbizziine 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). Based on a literature review very few articles have been published on L-Oxalylalbizziine.
Structure
Data?1563863324
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0039164 (L-Oxalylalbizziine)


  Mrv0541 09121200312D          

 15 14  0  0  0  0            999 V2000
   -1.1958   -1.5671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8558   -1.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5983   -1.4845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5983    0.1646    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8558   -0.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1133    0.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533   -0.3296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2884    0.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1234    0.9896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0308   -0.2471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6908    0.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333   -0.2471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5983    1.3196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7733    0.9896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1958    1.5671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
Download

3D MOL for HMDB0039164 (L-Oxalylalbizziine)

HMDB0039164
     RDKit          3D
L-Oxalylalbizziine
 24 23  0  0  0  0  0  0  0  0999 V2000
   -1.7265    1.8910   -0.0204 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1129    0.5709    0.4455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4274   -0.4880   -0.3778 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0562   -0.3397   -0.2531 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8941   -1.2128   -0.9303 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2495   -2.1107   -1.6357 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2610   -1.2783   -0.9732 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3506   -0.6177   -0.4505 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5160   -1.1410   -0.8524 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5478    0.4933    0.4189 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6288    1.1424    0.9206 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.9470    0.7812 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5852    0.4074    0.3923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2899    1.3530   -0.0179 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1324   -0.8006    0.8035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2356    2.5909    0.5307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8114    1.9954   -1.0364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7393    0.4546    1.5041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6904   -0.3410   -1.4509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7228   -1.4909   -0.0346 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3818    0.4293    0.3497 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6004   -2.1258   -1.6334 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1779    0.7834    1.7413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0357   -1.1124    1.7788 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
  2 13  1  0
 13 14  2  0
 13 15  1  0
  1 16  1  0
  1 17  1  0
  2 18  1  0
  3 19  1  0
  3 20  1  0
  4 21  1  0
  7 22  1  0
 12 23  1  0
 15 24  1  0
M  END
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3D SDF for HMDB0039164 (L-Oxalylalbizziine)


  Mrv0541 09121200312D          

 15 14  0  0  0  0            999 V2000
   -1.1958   -1.5671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8558   -1.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5983   -1.4845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5983    0.1646    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8558   -0.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1133    0.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533   -0.3296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2884    0.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1234    0.9896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0308   -0.2471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6908    0.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333   -0.2471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5983    1.3196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7733    0.9896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1958    1.5671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0039164

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(CNC(=O)NC(=O)C(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H9N3O6/c7-2(4(11)12)1-8-6(15)9-3(10)5(13)14/h2H,1,7H2,(H,11,12)(H,13,14)(H2,8,9,10,15)

> <INCHI_KEY>
WLHZKQYVDKRZKW-UHFFFAOYSA-N

> <FORMULA>
C6H9N3O6

> <MOLECULAR_WEIGHT>
219.1522

> <EXACT_MASS>
219.049135035

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_AVERAGE_POLARIZABILITY>
18.46951944341092

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-3-{[(carboxycarbonyl)carbamoyl]amino}propanoic acid

> <ALOGPS_LOGP>
-3.12

> <JCHEM_LOGP>
-4.721176767751893

> <ALOGPS_LOGS>
-2.06

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
2.6376502616544664

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.4565855659504559

> <JCHEM_PKA_STRONGEST_BASIC>
8.500845402426094

> <JCHEM_POLAR_SURFACE_AREA>
158.81999999999996

> <JCHEM_REFRACTIVITY>
43.179800000000014

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.89e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-amino-3-[(carboxycarbonylcarbamoyl)amino]propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0039164 (L-Oxalylalbizziine)

HMDB0039164
     RDKit          3D
L-Oxalylalbizziine
 24 23  0  0  0  0  0  0  0  0999 V2000
   -1.7265    1.8910   -0.0204 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1129    0.5709    0.4455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4274   -0.4880   -0.3778 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0562   -0.3397   -0.2531 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8941   -1.2128   -0.9303 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2495   -2.1107   -1.6357 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2610   -1.2783   -0.9732 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3506   -0.6177   -0.4505 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5160   -1.1410   -0.8524 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5478    0.4933    0.4189 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6288    1.1424    0.9206 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.9470    0.7812 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5852    0.4074    0.3923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2899    1.3530   -0.0179 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1324   -0.8006    0.8035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2356    2.5909    0.5307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8114    1.9954   -1.0364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7393    0.4546    1.5041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6904   -0.3410   -1.4509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7228   -1.4909   -0.0346 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3818    0.4293    0.3497 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6004   -2.1258   -1.6334 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1779    0.7834    1.7413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0357   -1.1124    1.7788 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
  2 13  1  0
 13 14  2  0
 13 15  1  0
  1 16  1  0
  1 17  1  0
  2 18  1  0
  3 19  1  0
  3 20  1  0
  4 21  1  0
  7 22  1  0
 12 23  1  0
 15 24  1  0
M  END
Download

PDB for HMDB0039164 (L-Oxalylalbizziine)

HEADER    PROTEIN                                 12-SEP-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-12         0                                  
HETATM    1  O   UNK     0      -2.232  -2.925   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -3.464  -2.001   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -4.850  -2.771   0.000  0.00  0.00           O+0
HETATM    4  N   UNK     0      -4.850   0.307   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0      -3.464  -0.461   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.078   0.153   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0      -0.846  -0.615   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       0.538   0.307   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       0.230   1.847   0.000  0.00  0.00           O+0
HETATM   10  N   UNK     0       1.924  -0.461   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0       3.156   0.307   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       4.542  -0.461   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       4.850   2.463   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       3.310   1.847   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       2.232   2.925   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    5                                                  
CONECT    3    2                                                            
CONECT    4    5                                                            
CONECT    5    2    4    6                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12   14                                                  
CONECT   12   11                                                            
CONECT   13   14                                                            
CONECT   14   11   13   15                                                  
CONECT   15   14                                                            
MASTER        0    0    0    0    0    0    0    0   15    0   28    0
END
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3D PDB for HMDB0039164 (L-Oxalylalbizziine)

COMPND    HMDB0039164
HETATM    1  N1  UNL     1      -1.726   1.891  -0.020  1.00  0.00           N  
HETATM    2  C1  UNL     1      -2.113   0.571   0.446  1.00  0.00           C  
HETATM    3  C2  UNL     1      -1.427  -0.488  -0.378  1.00  0.00           C  
HETATM    4  N2  UNL     1       0.056  -0.340  -0.253  1.00  0.00           N  
HETATM    5  C3  UNL     1       0.894  -1.213  -0.930  1.00  0.00           C  
HETATM    6  O1  UNL     1       0.249  -2.111  -1.636  1.00  0.00           O  
HETATM    7  N3  UNL     1       2.261  -1.278  -0.973  1.00  0.00           N  
HETATM    8  C4  UNL     1       3.351  -0.618  -0.450  1.00  0.00           C  
HETATM    9  O2  UNL     1       4.516  -1.141  -0.852  1.00  0.00           O  
HETATM   10  C5  UNL     1       3.548   0.493   0.419  1.00  0.00           C  
HETATM   11  O3  UNL     1       2.629   1.142   0.921  1.00  0.00           O  
HETATM   12  O4  UNL     1       4.846   0.947   0.781  1.00  0.00           O  
HETATM   13  C6  UNL     1      -3.585   0.407   0.392  1.00  0.00           C  
HETATM   14  O5  UNL     1      -4.290   1.353  -0.018  1.00  0.00           O  
HETATM   15  O6  UNL     1      -4.132  -0.801   0.804  1.00  0.00           O  
HETATM   16  H1  UNL     1      -2.236   2.591   0.531  1.00  0.00           H  
HETATM   17  H2  UNL     1      -1.811   1.995  -1.036  1.00  0.00           H  
HETATM   18  H3  UNL     1      -1.739   0.455   1.504  1.00  0.00           H  
HETATM   19  H4  UNL     1      -1.690  -0.341  -1.451  1.00  0.00           H  
HETATM   20  H5  UNL     1      -1.723  -1.491  -0.035  1.00  0.00           H  
HETATM   21  H6  UNL     1       0.382   0.429   0.350  1.00  0.00           H  
HETATM   22  H7  UNL     1       2.600  -2.126  -1.633  1.00  0.00           H  
HETATM   23  H8  UNL     1       5.178   0.783   1.741  1.00  0.00           H  
HETATM   24  H9  UNL     1      -4.036  -1.112   1.779  1.00  0.00           H  
CONECT    1    2   16   17
CONECT    2    3   13   18
CONECT    3    4   19   20
CONECT    4    5   21
CONECT    5    6    6    7
CONECT    7    8   22
CONECT    8    9    9   10
CONECT   10   11   11   12
CONECT   12   23
CONECT   13   14   14   15
CONECT   15   24
END
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SMILES for HMDB0039164 (L-Oxalylalbizziine)

NC(CNC(=O)NC(=O)C(O)=O)C(O)=O
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INCHI for HMDB0039164 (L-Oxalylalbizziine)

InChI=1S/C6H9N3O6/c7-2(4(11)12)1-8-6(15)9-3(10)5(13)14/h2H,1,7H2,(H,11,12)(H,13,14)(H2,8,9,10,15)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
S-OxalylalbizziineHMDB
2-Amino-3-{n-[carboxy(hydroxy)methylidene]-(C-hydroxycarbonimidoyl)amino}propanoateHMDB
Chemical FormulaC6H9N3O6
Average Molecular Weight219.1522
Monoisotopic Molecular Weight219.049135035
IUPAC Name2-amino-3-{[(carboxycarbonyl)carbamoyl]amino}propanoic acid
Traditional Name2-amino-3-[(carboxycarbonylcarbamoyl)amino]propanoic acid
CAS Registry Number99694-81-2
SMILES
NC(CNC(=O)NC(=O)C(O)=O)C(O)=O
InChI Identifier
InChI=1S/C6H9N3O6/c7-2(4(11)12)1-8-6(15)9-3(10)5(13)14/h2H,1,7H2,(H,11,12)(H,13,14)(H2,8,9,10,15)
InChI KeyWLHZKQYVDKRZKW-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).
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentAlpha amino acids
Alternative Parents
Substituents
  • Alpha-amino acid
  • Dicarboxylic acid or derivatives
  • Amino acid
  • Carboximidic acid derivative
  • Carboxylic acid
  • Propargyl-type 1,3-dipolar organic compound
  • Organic 1,3-dipolar compound
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Organic oxide
  • Organopnictogen compound
  • 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
Water Solubility1.89 g/LALOGPS
logP-3.1ALOGPS
logP-4.7ChemAxon
logS-2.1ALOGPS
pKa (Strongest Acidic)1.46ChemAxon
pKa (Strongest Basic)8.5ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area158.82 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity43.18 m³·mol⁻¹ChemAxon
Polarizability18.47 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
DarkChem[M+H]+149.15331661259
DarkChem[M-H]-142.49331661259
DeepCCS[M+H]+141.91430932474
DeepCCS[M-H]-138.32330932474
DeepCCS[M-2H]-175.09230932474
DeepCCS[M+Na]+150.63130932474
AllCCS[M+H]+145.732859911
AllCCS[M+H-H2O]+142.232859911
AllCCS[M+NH4]+148.932859911
AllCCS[M+Na]+149.832859911
AllCCS[M-H]-142.332859911
AllCCS[M+Na-2H]-143.032859911
AllCCS[M+HCOO]-143.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
L-OxalylalbizziineNC(CNC(=O)NC(=O)C(O)=O)C(O)=O2772.2Standard polar33892256
L-OxalylalbizziineNC(CNC(=O)NC(=O)C(O)=O)C(O)=O1690.1Standard non polar33892256
L-OxalylalbizziineNC(CNC(=O)NC(=O)C(O)=O)C(O)=O2477.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
L-Oxalylalbizziine,1TMS,isomer #1C[Si](C)(C)OC(=O)C(=O)NC(=O)NCC(N)C(=O)O2151.2Semi standard non polar33892256
L-Oxalylalbizziine,1TMS,isomer #2C[Si](C)(C)OC(=O)C(N)CNC(=O)NC(=O)C(=O)O2188.1Semi standard non polar33892256
L-Oxalylalbizziine,1TMS,isomer #3C[Si](C)(C)NC(CNC(=O)NC(=O)C(=O)O)C(=O)O2223.9Semi standard non polar33892256
L-Oxalylalbizziine,1TMS,isomer #4C[Si](C)(C)N(CC(N)C(=O)O)C(=O)NC(=O)C(=O)O2181.5Semi standard non polar33892256
L-Oxalylalbizziine,1TMS,isomer #5C[Si](C)(C)N(C(=O)NCC(N)C(=O)O)C(=O)C(=O)O2129.1Semi standard non polar33892256
L-Oxalylalbizziine,2TMS,isomer #1C[Si](C)(C)OC(=O)C(=O)NC(=O)NCC(N)C(=O)O[Si](C)(C)C2192.4Semi standard non polar33892256
L-Oxalylalbizziine,2TMS,isomer #10C[Si](C)(C)NC(CNC(=O)N(C(=O)C(=O)O)[Si](C)(C)C)C(=O)O2214.7Semi standard non polar33892256
L-Oxalylalbizziine,2TMS,isomer #11C[Si](C)(C)N(CC(N)C(=O)O)C(=O)N(C(=O)C(=O)O)[Si](C)(C)C2112.7Semi standard non polar33892256
L-Oxalylalbizziine,2TMS,isomer #2C[Si](C)(C)NC(CNC(=O)NC(=O)C(=O)O[Si](C)(C)C)C(=O)O2245.2Semi standard non polar33892256
L-Oxalylalbizziine,2TMS,isomer #3C[Si](C)(C)OC(=O)C(=O)N(C(=O)NCC(N)C(=O)O)[Si](C)(C)C2125.6Semi standard non polar33892256
L-Oxalylalbizziine,2TMS,isomer #4C[Si](C)(C)OC(=O)C(=O)NC(=O)N(CC(N)C(=O)O)[Si](C)(C)C2141.4Semi standard non polar33892256
L-Oxalylalbizziine,2TMS,isomer #5C[Si](C)(C)NC(CNC(=O)NC(=O)C(=O)O)C(=O)O[Si](C)(C)C2247.8Semi standard non polar33892256
L-Oxalylalbizziine,2TMS,isomer #6C[Si](C)(C)OC(=O)C(N)CN(C(=O)NC(=O)C(=O)O)[Si](C)(C)C2186.1Semi standard non polar33892256
L-Oxalylalbizziine,2TMS,isomer #7C[Si](C)(C)OC(=O)C(N)CNC(=O)N(C(=O)C(=O)O)[Si](C)(C)C2126.5Semi standard non polar33892256
L-Oxalylalbizziine,2TMS,isomer #8C[Si](C)(C)N(C(CNC(=O)NC(=O)C(=O)O)C(=O)O)[Si](C)(C)C2345.8Semi standard non polar33892256
L-Oxalylalbizziine,2TMS,isomer #9C[Si](C)(C)NC(CN(C(=O)NC(=O)C(=O)O)[Si](C)(C)C)C(=O)O2284.3Semi standard non polar33892256
L-Oxalylalbizziine,3TMS,isomer #1C[Si](C)(C)NC(CNC(=O)NC(=O)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2271.0Semi standard non polar33892256
L-Oxalylalbizziine,3TMS,isomer #1C[Si](C)(C)NC(CNC(=O)NC(=O)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2135.2Standard non polar33892256
L-Oxalylalbizziine,3TMS,isomer #10C[Si](C)(C)NC(CNC(=O)N(C(=O)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C2183.2Semi standard non polar33892256
L-Oxalylalbizziine,3TMS,isomer #10C[Si](C)(C)NC(CNC(=O)N(C(=O)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C2119.6Standard non polar33892256
L-Oxalylalbizziine,3TMS,isomer #11C[Si](C)(C)OC(=O)C(N)CN(C(=O)N(C(=O)C(=O)O)[Si](C)(C)C)[Si](C)(C)C2111.4Semi standard non polar33892256
L-Oxalylalbizziine,3TMS,isomer #11C[Si](C)(C)OC(=O)C(N)CN(C(=O)N(C(=O)C(=O)O)[Si](C)(C)C)[Si](C)(C)C2209.4Standard non polar33892256
L-Oxalylalbizziine,3TMS,isomer #12C[Si](C)(C)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(=O)C(=O)O2386.2Semi standard non polar33892256
L-Oxalylalbizziine,3TMS,isomer #12C[Si](C)(C)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(=O)C(=O)O2260.4Standard non polar33892256
L-Oxalylalbizziine,3TMS,isomer #13C[Si](C)(C)N(C(=O)NCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)C(=O)O2320.0Semi standard non polar33892256
L-Oxalylalbizziine,3TMS,isomer #13C[Si](C)(C)N(C(=O)NCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)C(=O)O2227.3Standard non polar33892256
L-Oxalylalbizziine,3TMS,isomer #14C[Si](C)(C)NC(CN(C(=O)N(C(=O)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O2209.3Semi standard non polar33892256
L-Oxalylalbizziine,3TMS,isomer #14C[Si](C)(C)NC(CN(C(=O)N(C(=O)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O2246.4Standard non polar33892256
L-Oxalylalbizziine,3TMS,isomer #2C[Si](C)(C)OC(=O)C(=O)N(C(=O)NCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C2130.4Semi standard non polar33892256
L-Oxalylalbizziine,3TMS,isomer #2C[Si](C)(C)OC(=O)C(=O)N(C(=O)NCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C2059.3Standard non polar33892256
L-Oxalylalbizziine,3TMS,isomer #3C[Si](C)(C)OC(=O)C(=O)NC(=O)N(CC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C2169.1Semi standard non polar33892256
L-Oxalylalbizziine,3TMS,isomer #3C[Si](C)(C)OC(=O)C(=O)NC(=O)N(CC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C2104.8Standard non polar33892256
L-Oxalylalbizziine,3TMS,isomer #4C[Si](C)(C)OC(=O)C(=O)NC(=O)NCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2364.2Semi standard non polar33892256
L-Oxalylalbizziine,3TMS,isomer #4C[Si](C)(C)OC(=O)C(=O)NC(=O)NCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2267.4Standard non polar33892256
L-Oxalylalbizziine,3TMS,isomer #5C[Si](C)(C)NC(CN(C(=O)NC(=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O2250.9Semi standard non polar33892256
L-Oxalylalbizziine,3TMS,isomer #5C[Si](C)(C)NC(CN(C(=O)NC(=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O2149.8Standard non polar33892256
L-Oxalylalbizziine,3TMS,isomer #6C[Si](C)(C)NC(CNC(=O)N(C(=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O2196.9Semi standard non polar33892256
L-Oxalylalbizziine,3TMS,isomer #6C[Si](C)(C)NC(CNC(=O)N(C(=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O2106.4Standard non polar33892256
L-Oxalylalbizziine,3TMS,isomer #7C[Si](C)(C)OC(=O)C(=O)N(C(=O)N(CC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C2110.8Semi standard non polar33892256
L-Oxalylalbizziine,3TMS,isomer #7C[Si](C)(C)OC(=O)C(=O)N(C(=O)N(CC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C2196.4Standard non polar33892256
L-Oxalylalbizziine,3TMS,isomer #8C[Si](C)(C)OC(=O)C(CNC(=O)NC(=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2358.4Semi standard non polar33892256
L-Oxalylalbizziine,3TMS,isomer #8C[Si](C)(C)OC(=O)C(CNC(=O)NC(=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2211.3Standard non polar33892256
L-Oxalylalbizziine,3TMS,isomer #9C[Si](C)(C)NC(CN(C(=O)NC(=O)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C2263.2Semi standard non polar33892256
L-Oxalylalbizziine,3TMS,isomer #9C[Si](C)(C)NC(CN(C(=O)NC(=O)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C2144.9Standard non polar33892256
L-Oxalylalbizziine,4TMS,isomer #1C[Si](C)(C)OC(=O)C(=O)NC(=O)NCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2381.7Semi standard non polar33892256
L-Oxalylalbizziine,4TMS,isomer #1C[Si](C)(C)OC(=O)C(=O)NC(=O)NCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2234.8Standard non polar33892256
L-Oxalylalbizziine,4TMS,isomer #10C[Si](C)(C)NC(CN(C(=O)N(C(=O)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2205.6Semi standard non polar33892256
L-Oxalylalbizziine,4TMS,isomer #10C[Si](C)(C)NC(CN(C(=O)N(C(=O)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2261.1Standard non polar33892256
L-Oxalylalbizziine,4TMS,isomer #11C[Si](C)(C)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(=O)C(=O)O)[Si](C)(C)C2330.4Semi standard non polar33892256
L-Oxalylalbizziine,4TMS,isomer #11C[Si](C)(C)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(=O)C(=O)O)[Si](C)(C)C2389.3Standard non polar33892256
L-Oxalylalbizziine,4TMS,isomer #2C[Si](C)(C)NC(CN(C(=O)NC(=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2259.2Semi standard non polar33892256
L-Oxalylalbizziine,4TMS,isomer #2C[Si](C)(C)NC(CN(C(=O)NC(=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2136.8Standard non polar33892256
L-Oxalylalbizziine,4TMS,isomer #3C[Si](C)(C)NC(CNC(=O)N(C(=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2171.6Semi standard non polar33892256
L-Oxalylalbizziine,4TMS,isomer #3C[Si](C)(C)NC(CNC(=O)N(C(=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2122.9Standard non polar33892256
L-Oxalylalbizziine,4TMS,isomer #4C[Si](C)(C)OC(=O)C(=O)N(C(=O)N(CC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2144.2Semi standard non polar33892256
L-Oxalylalbizziine,4TMS,isomer #4C[Si](C)(C)OC(=O)C(=O)N(C(=O)N(CC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2196.2Standard non polar33892256
L-Oxalylalbizziine,4TMS,isomer #5C[Si](C)(C)OC(=O)C(=O)N(C(=O)NCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2322.9Semi standard non polar33892256
L-Oxalylalbizziine,4TMS,isomer #5C[Si](C)(C)OC(=O)C(=O)N(C(=O)NCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2248.1Standard non polar33892256
L-Oxalylalbizziine,4TMS,isomer #6C[Si](C)(C)OC(=O)C(=O)NC(=O)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2389.8Semi standard non polar33892256
L-Oxalylalbizziine,4TMS,isomer #6C[Si](C)(C)OC(=O)C(=O)NC(=O)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2251.8Standard non polar33892256
L-Oxalylalbizziine,4TMS,isomer #7C[Si](C)(C)NC(CN(C(=O)N(C(=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O2224.6Semi standard non polar33892256
L-Oxalylalbizziine,4TMS,isomer #7C[Si](C)(C)NC(CN(C(=O)N(C(=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O2234.4Standard non polar33892256
L-Oxalylalbizziine,4TMS,isomer #8C[Si](C)(C)OC(=O)C(CN(C(=O)NC(=O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2379.6Semi standard non polar33892256
L-Oxalylalbizziine,4TMS,isomer #8C[Si](C)(C)OC(=O)C(CN(C(=O)NC(=O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2204.3Standard non polar33892256
L-Oxalylalbizziine,4TMS,isomer #9C[Si](C)(C)OC(=O)C(CNC(=O)N(C(=O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2305.4Semi standard non polar33892256
L-Oxalylalbizziine,4TMS,isomer #9C[Si](C)(C)OC(=O)C(CNC(=O)N(C(=O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2223.9Standard non polar33892256
L-Oxalylalbizziine,5TMS,isomer #1C[Si](C)(C)OC(=O)C(=O)N(C(=O)NCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2306.0Semi standard non polar33892256
L-Oxalylalbizziine,5TMS,isomer #1C[Si](C)(C)OC(=O)C(=O)N(C(=O)NCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2233.6Standard non polar33892256
L-Oxalylalbizziine,5TMS,isomer #2C[Si](C)(C)OC(=O)C(=O)NC(=O)N(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2386.9Semi standard non polar33892256
L-Oxalylalbizziine,5TMS,isomer #2C[Si](C)(C)OC(=O)C(=O)NC(=O)N(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2221.2Standard non polar33892256
L-Oxalylalbizziine,5TMS,isomer #3C[Si](C)(C)NC(CN(C(=O)N(C(=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2225.6Semi standard non polar33892256
L-Oxalylalbizziine,5TMS,isomer #3C[Si](C)(C)NC(CN(C(=O)N(C(=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2255.8Standard non polar33892256
L-Oxalylalbizziine,5TMS,isomer #4C[Si](C)(C)OC(=O)C(=O)N(C(=O)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2349.9Semi standard non polar33892256
L-Oxalylalbizziine,5TMS,isomer #4C[Si](C)(C)OC(=O)C(=O)N(C(=O)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2377.1Standard non polar33892256
L-Oxalylalbizziine,5TMS,isomer #5C[Si](C)(C)OC(=O)C(CN(C(=O)N(C(=O)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2336.8Semi standard non polar33892256
L-Oxalylalbizziine,5TMS,isomer #5C[Si](C)(C)OC(=O)C(CN(C(=O)N(C(=O)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2358.8Standard non polar33892256
L-Oxalylalbizziine,6TMS,isomer #1C[Si](C)(C)OC(=O)C(=O)N(C(=O)N(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2375.3Semi standard non polar33892256
L-Oxalylalbizziine,6TMS,isomer #1C[Si](C)(C)OC(=O)C(=O)N(C(=O)N(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2365.6Standard non polar33892256
L-Oxalylalbizziine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(=O)NC(=O)NCC(N)C(=O)O2403.5Semi standard non polar33892256
L-Oxalylalbizziine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(N)CNC(=O)NC(=O)C(=O)O2453.9Semi standard non polar33892256
L-Oxalylalbizziine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(CNC(=O)NC(=O)C(=O)O)C(=O)O2467.7Semi standard non polar33892256
L-Oxalylalbizziine,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(CC(N)C(=O)O)C(=O)NC(=O)C(=O)O2436.0Semi standard non polar33892256
L-Oxalylalbizziine,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(=O)NCC(N)C(=O)O)C(=O)C(=O)O2390.5Semi standard non polar33892256
L-Oxalylalbizziine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(=O)NC(=O)NCC(N)C(=O)O[Si](C)(C)C(C)(C)C2691.3Semi standard non polar33892256
L-Oxalylalbizziine,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC(CNC(=O)N(C(=O)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O2660.7Semi standard non polar33892256
L-Oxalylalbizziine,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)N(CC(N)C(=O)O)C(=O)N(C(=O)C(=O)O)[Si](C)(C)C(C)(C)C2575.9Semi standard non polar33892256
L-Oxalylalbizziine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(CNC(=O)NC(=O)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O2701.7Semi standard non polar33892256
L-Oxalylalbizziine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(=O)N(C(=O)NCC(N)C(=O)O)[Si](C)(C)C(C)(C)C2592.4Semi standard non polar33892256
L-Oxalylalbizziine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(=O)NC(=O)N(CC(N)C(=O)O)[Si](C)(C)C(C)(C)C2594.4Semi standard non polar33892256
L-Oxalylalbizziine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(CNC(=O)NC(=O)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C2745.4Semi standard non polar33892256
L-Oxalylalbizziine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C(N)CN(C(=O)NC(=O)C(=O)O)[Si](C)(C)C(C)(C)C2665.6Semi standard non polar33892256
L-Oxalylalbizziine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C(N)CNC(=O)N(C(=O)C(=O)O)[Si](C)(C)C(C)(C)C2596.3Semi standard non polar33892256
L-Oxalylalbizziine,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(C(CNC(=O)NC(=O)C(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C2815.2Semi standard non polar33892256
L-Oxalylalbizziine,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(CN(C(=O)NC(=O)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O2713.5Semi standard non polar33892256
L-Oxalylalbizziine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CNC(=O)NC(=O)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2934.7Semi standard non polar33892256
L-Oxalylalbizziine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CNC(=O)NC(=O)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2682.3Standard non polar33892256
L-Oxalylalbizziine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC(CNC(=O)N(C(=O)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2823.7Semi standard non polar33892256
L-Oxalylalbizziine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC(CNC(=O)N(C(=O)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2677.5Standard non polar33892256
L-Oxalylalbizziine,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)C(N)CN(C(=O)N(C(=O)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2787.9Semi standard non polar33892256
L-Oxalylalbizziine,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)C(N)CN(C(=O)N(C(=O)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2759.3Standard non polar33892256
L-Oxalylalbizziine,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)N(CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(=O)C(=O)O3022.9Semi standard non polar33892256
L-Oxalylalbizziine,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)N(CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(=O)C(=O)O2785.3Standard non polar33892256
L-Oxalylalbizziine,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)N(C(=O)NCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)C(=O)O2945.7Semi standard non polar33892256
L-Oxalylalbizziine,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)N(C(=O)NCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)C(=O)O2772.6Standard non polar33892256
L-Oxalylalbizziine,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)NC(CN(C(=O)N(C(=O)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2845.2Semi standard non polar33892256
L-Oxalylalbizziine,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)NC(CN(C(=O)N(C(=O)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2766.0Standard non polar33892256
L-Oxalylalbizziine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(=O)N(C(=O)NCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2761.1Semi standard non polar33892256
L-Oxalylalbizziine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(=O)N(C(=O)NCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2667.5Standard non polar33892256
L-Oxalylalbizziine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(=O)NC(=O)N(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2823.6Semi standard non polar33892256
L-Oxalylalbizziine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(=O)NC(=O)N(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2688.7Standard non polar33892256
L-Oxalylalbizziine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(=O)NC(=O)NCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3021.8Semi standard non polar33892256
L-Oxalylalbizziine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(=O)NC(=O)NCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2763.4Standard non polar33892256
L-Oxalylalbizziine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(CN(C(=O)NC(=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2885.3Semi standard non polar33892256
L-Oxalylalbizziine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(CN(C(=O)NC(=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2705.8Standard non polar33892256
L-Oxalylalbizziine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(CNC(=O)N(C(=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2834.1Semi standard non polar33892256
L-Oxalylalbizziine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(CNC(=O)N(C(=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2682.5Standard non polar33892256
L-Oxalylalbizziine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C(=O)N(C(=O)N(CC(N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2768.7Semi standard non polar33892256
L-Oxalylalbizziine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C(=O)N(C(=O)N(CC(N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2766.4Standard non polar33892256
L-Oxalylalbizziine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C(CNC(=O)NC(=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3050.4Semi standard non polar33892256
L-Oxalylalbizziine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C(CNC(=O)NC(=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2753.5Standard non polar33892256
L-Oxalylalbizziine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(CN(C(=O)NC(=O)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2922.1Semi standard non polar33892256
L-Oxalylalbizziine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(CN(C(=O)NC(=O)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2704.3Standard non polar33892256
L-Oxalylalbizziine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(=O)NC(=O)NCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3260.5Semi standard non polar33892256
L-Oxalylalbizziine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(=O)NC(=O)NCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2929.0Standard non polar33892256
L-Oxalylalbizziine,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC(CN(C(=O)N(C(=O)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3039.2Semi standard non polar33892256
L-Oxalylalbizziine,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC(CN(C(=O)N(C(=O)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2959.3Standard non polar33892256
L-Oxalylalbizziine,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N(CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(C(=O)C(=O)O)[Si](C)(C)C(C)(C)C3164.6Semi standard non polar33892256
L-Oxalylalbizziine,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N(CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(C(=O)C(=O)O)[Si](C)(C)C(C)(C)C3012.9Standard non polar33892256
L-Oxalylalbizziine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(CN(C(=O)NC(=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3091.1Semi standard non polar33892256
L-Oxalylalbizziine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(CN(C(=O)NC(=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2847.7Standard non polar33892256
L-Oxalylalbizziine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(CNC(=O)N(C(=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2992.8Semi standard non polar33892256
L-Oxalylalbizziine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(CNC(=O)N(C(=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2843.8Standard non polar33892256
L-Oxalylalbizziine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(=O)N(C(=O)N(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2968.7Semi standard non polar33892256
L-Oxalylalbizziine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(=O)N(C(=O)N(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2937.2Standard non polar33892256
L-Oxalylalbizziine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(=O)N(C(=O)NCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3146.3Semi standard non polar33892256
L-Oxalylalbizziine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(=O)N(C(=O)NCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2928.0Standard non polar33892256
L-Oxalylalbizziine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C(=O)NC(=O)N(CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3215.5Semi standard non polar33892256
L-Oxalylalbizziine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C(=O)NC(=O)N(CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2930.8Standard non polar33892256
L-Oxalylalbizziine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(CN(C(=O)N(C(=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3016.8Semi standard non polar33892256
L-Oxalylalbizziine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(CN(C(=O)N(C(=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2949.3Standard non polar33892256
L-Oxalylalbizziine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C(CN(C(=O)NC(=O)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3253.4Semi standard non polar33892256
L-Oxalylalbizziine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C(CN(C(=O)NC(=O)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2927.2Standard non polar33892256
L-Oxalylalbizziine,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C(CNC(=O)N(C(=O)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3149.9Semi standard non polar33892256
L-Oxalylalbizziine,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C(CNC(=O)N(C(=O)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2935.5Standard non polar33892256
L-Oxalylalbizziine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(=O)N(C(=O)NCC(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)[Si](C)(C)C(C)(C)C3332.0Semi standard non polar33892256
L-Oxalylalbizziine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(=O)N(C(=O)NCC(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)[Si](C)(C)C(C)(C)C3110.7Standard non polar33892256
L-Oxalylalbizziine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(=O)NC(=O)N(CC(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)[Si](C)(C)C(C)(C)C3420.9Semi standard non polar33892256
L-Oxalylalbizziine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(=O)NC(=O)N(CC(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)[Si](C)(C)C(C)(C)C3091.1Standard non polar33892256
L-Oxalylalbizziine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(CN(C(=O)N(C(=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3201.6Semi standard non polar33892256
L-Oxalylalbizziine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(CN(C(=O)N(C(=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3130.3Standard non polar33892256
L-Oxalylalbizziine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(=O)N(C(=O)N(CC(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)[Si](C)(C)C(C)(C)C3351.6Semi standard non polar33892256
L-Oxalylalbizziine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(=O)N(C(=O)N(CC(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)[Si](C)(C)C(C)(C)C3198.6Standard non polar33892256
L-Oxalylalbizziine,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(CN(C(=O)N(C(=O)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3359.7Semi standard non polar33892256
L-Oxalylalbizziine,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(CN(C(=O)N(C(=O)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3214.6Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - L-Oxalylalbizziine GC-MS (Non-derivatized) - 70eV, Positivesplash10-006x-9400000000-6e4e4bf7be555e263c072017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - L-Oxalylalbizziine GC-MS (2 TMS) - 70eV, Positivesplash10-00dj-9370000000-9eba7c75b967eeef1f602017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - L-Oxalylalbizziine 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 - L-Oxalylalbizziine 10V, Positive-QTOFsplash10-00di-9740000000-59ce132df5aa6b501f1b2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Oxalylalbizziine 20V, Positive-QTOFsplash10-059f-9400000000-f4d2db4868a5ee3e5ebc2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Oxalylalbizziine 40V, Positive-QTOFsplash10-0006-9000000000-c862917a00d1eef91ba72017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Oxalylalbizziine 10V, Negative-QTOFsplash10-0fr2-3930000000-f2bd9fbd1588543f1edd2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Oxalylalbizziine 20V, Negative-QTOFsplash10-0ufs-3900000000-e97f6f04c51917633f902017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Oxalylalbizziine 40V, Negative-QTOFsplash10-000f-9100000000-6ab5fd322a8a3aaaf0132017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Oxalylalbizziine 10V, Negative-QTOFsplash10-0006-9600000000-6b29d4261065e0ff19752021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Oxalylalbizziine 20V, Negative-QTOFsplash10-0fdo-9300000000-5f2806762c471c3432422021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Oxalylalbizziine 40V, Negative-QTOFsplash10-0006-9000000000-645f66fe48997bcfdae52021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Oxalylalbizziine 10V, Positive-QTOFsplash10-05gi-3960000000-681d27b14b8adb3943bb2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Oxalylalbizziine 20V, Positive-QTOFsplash10-000i-9200000000-94f5aade8f4927e781642021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Oxalylalbizziine 40V, Positive-QTOFsplash10-0a4i-9000000000-e4468b4ed8a92d3c7ce32021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB018689
KNApSAcK IDNot Available
Chemspider ID35014758
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound14632981
PDB IDNot Available
ChEBI ID169449
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. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .