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Showing metabocard for 2,7-Diamino-7-iminoheptanoic acid (HMDB0245671)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-10 22:43:37 UTC
Update Date2021-09-26 22:54:16 UTC
HMDB IDHMDB0245671
Secondary Accession NumbersNone
Metabolite Identification
Common Name2,7-Diamino-7-iminoheptanoic acid
Description24185-98-6, also known as indospicine, 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 a significant number of articles have been published on 24185-98-6. This compound has been identified in human blood as reported by (PMID: 31557052 ). 2,7-diamino-7-iminoheptanoic acid is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 2,7-Diamino-7-iminoheptanoic 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
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0245671 (2,7-Diamino-7-iminoheptanoic acid)


  Mrv1533004171516072D          

 12 11  0  0  0  0            999 V2000
    7.2849    3.3809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980    2.5559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    1.3184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138    2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    1.3184    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  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
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
Download

3D MOL for HMDB0245671 (2,7-Diamino-7-iminoheptanoic acid)

HMDB0253480
     RDKit          3D
Indospicine
 27 26  0  0  0  0  0  0  0  0999 V2000
    4.3073   -1.3277    0.3050 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4887   -0.3768    0.5671 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5784    0.3800    1.7588 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4191   -0.0611   -0.4042 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0934   -0.2512    0.3121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0037    0.0765   -0.6972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3127   -0.1059   -0.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5023    0.1817   -0.8779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5330    1.5217   -1.3800 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7340   -0.1232   -0.0723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5889    0.7824    0.0539 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9282   -1.3595    0.5152 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0519   -1.5370    0.9961 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1256    0.0294    2.5747 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1029    1.3009    1.8507 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4958    1.0305   -0.6628 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4703   -0.6466   -1.3231 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9652   -1.2793    0.6679 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9921    0.5011    1.1194 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -0.6409   -1.5457 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1921    1.0862   -1.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3754   -1.1600    0.3326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3147    0.5210    0.9029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5145   -0.5133   -1.7418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4919    1.6789   -1.7871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3338    2.2578   -0.6964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7745   -1.8608    0.3009 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
  1 13  1  0
  3 14  1  0
  3 15  1  0
  4 16  1  0
  4 17  1  0
  5 18  1  0
  5 19  1  0
  6 20  1  0
  6 21  1  0
  7 22  1  0
  7 23  1  0
  8 24  1  0
  9 25  1  0
  9 26  1  0
 12 27  1  0
M  END
Download

3D SDF for HMDB0245671 (2,7-Diamino-7-iminoheptanoic acid)


  Mrv1533004171516072D          

 12 11  0  0  0  0            999 V2000
    7.2849    3.3809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980    2.5559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    1.3184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138    2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    1.3184    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  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
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0245671

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C7H15N3O2/c8-5(7(11)12)3-1-2-4-6(9)10/h5H,1-4,8H2,(H3,9,10)(H,11,12)

> <INCHI_KEY>
SILQDLDAWPQMEL-UHFFFAOYSA-N

> <FORMULA>
C7H15N3O2

> <MOLECULAR_WEIGHT>
173.216

> <EXACT_MASS>
173.116426735

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
27

> <JCHEM_AVERAGE_POLARIZABILITY>
18.55543963408572

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-6-carbamimidoylhexanoic acid

> <ALOGPS_LOGP>
-3.53

> <JCHEM_LOGP>
-2.4446660522630244

> <ALOGPS_LOGS>
-2.02

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.531897814827828

> <JCHEM_PKA_STRONGEST_BASIC>
12.880917670357626

> <JCHEM_POLAR_SURFACE_AREA>
113.19000000000001

> <JCHEM_REFRACTIVITY>
54.906

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.67e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-amidino-2-aminohexanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0245671 (2,7-Diamino-7-iminoheptanoic acid)

HMDB0253480
     RDKit          3D
Indospicine
 27 26  0  0  0  0  0  0  0  0999 V2000
    4.3073   -1.3277    0.3050 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4887   -0.3768    0.5671 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5784    0.3800    1.7588 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4191   -0.0611   -0.4042 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0934   -0.2512    0.3121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0037    0.0765   -0.6972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3127   -0.1059   -0.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5023    0.1817   -0.8779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5330    1.5217   -1.3800 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7340   -0.1232   -0.0723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5889    0.7824    0.0539 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9282   -1.3595    0.5152 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0519   -1.5370    0.9961 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1256    0.0294    2.5747 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1029    1.3009    1.8507 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4958    1.0305   -0.6628 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4703   -0.6466   -1.3231 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9652   -1.2793    0.6679 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9921    0.5011    1.1194 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -0.6409   -1.5457 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1921    1.0862   -1.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3754   -1.1600    0.3326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3147    0.5210    0.9029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5145   -0.5133   -1.7418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4919    1.6789   -1.7871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3338    2.2578   -0.6964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7745   -1.8608    0.3009 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
  1 13  1  0
  3 14  1  0
  3 15  1  0
  4 16  1  0
  4 17  1  0
  5 18  1  0
  5 19  1  0
  6 20  1  0
  6 21  1  0
  7 22  1  0
  7 23  1  0
  8 24  1  0
  9 25  1  0
  9 26  1  0
 12 27  1  0
M  END
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PDB for HMDB0245671 (2,7-Diamino-7-iminoheptanoic acid)

HEADER    PROTEIN                                 17-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-APR-15         0                                  
HETATM    1  N   UNK     0      13.598   6.311   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0      13.598   4.771   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      12.265   4.001   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.931   4.771   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       9.597   4.001   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.264   4.771   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.930   4.001   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0       5.596   4.771   0.000  0.00  0.00           N+0
HETATM    9  N   UNK     0       6.930   2.461   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      14.932   4.001   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      16.266   4.771   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      14.932   2.461   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   10                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    2   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10                                                            
MASTER        0    0    0    0    0    0    0    0   12    0   22    0
END
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3D PDB for HMDB0245671 (2,7-Diamino-7-iminoheptanoic acid)

COMPND    HMDB0253480
HETATM    1  N1  UNL     1       4.307  -1.328   0.305  1.00  0.00           N  
HETATM    2  C1  UNL     1       3.489  -0.377   0.567  1.00  0.00           C  
HETATM    3  N2  UNL     1       3.578   0.380   1.759  1.00  0.00           N  
HETATM    4  C2  UNL     1       2.419  -0.061  -0.404  1.00  0.00           C  
HETATM    5  C3  UNL     1       1.093  -0.251   0.312  1.00  0.00           C  
HETATM    6  C4  UNL     1      -0.004   0.076  -0.697  1.00  0.00           C  
HETATM    7  C5  UNL     1      -1.313  -0.106  -0.007  1.00  0.00           C  
HETATM    8  C6  UNL     1      -2.502   0.182  -0.878  1.00  0.00           C  
HETATM    9  N3  UNL     1      -2.533   1.522  -1.380  1.00  0.00           N  
HETATM   10  C7  UNL     1      -3.734  -0.123  -0.072  1.00  0.00           C  
HETATM   11  O1  UNL     1      -4.589   0.782   0.054  1.00  0.00           O  
HETATM   12  O2  UNL     1      -3.928  -1.359   0.515  1.00  0.00           O  
HETATM   13  H1  UNL     1       5.052  -1.537   0.996  1.00  0.00           H  
HETATM   14  H2  UNL     1       4.126   0.029   2.575  1.00  0.00           H  
HETATM   15  H3  UNL     1       3.103   1.301   1.851  1.00  0.00           H  
HETATM   16  H4  UNL     1       2.496   1.030  -0.663  1.00  0.00           H  
HETATM   17  H5  UNL     1       2.470  -0.647  -1.323  1.00  0.00           H  
HETATM   18  H6  UNL     1       0.965  -1.279   0.668  1.00  0.00           H  
HETATM   19  H7  UNL     1       0.992   0.501   1.119  1.00  0.00           H  
HETATM   20  H8  UNL     1       0.125  -0.641  -1.546  1.00  0.00           H  
HETATM   21  H9  UNL     1       0.192   1.086  -1.061  1.00  0.00           H  
HETATM   22  H10 UNL     1      -1.375  -1.160   0.333  1.00  0.00           H  
HETATM   23  H11 UNL     1      -1.315   0.521   0.903  1.00  0.00           H  
HETATM   24  H12 UNL     1      -2.514  -0.513  -1.742  1.00  0.00           H  
HETATM   25  H13 UNL     1      -3.492   1.679  -1.787  1.00  0.00           H  
HETATM   26  H14 UNL     1      -2.334   2.258  -0.696  1.00  0.00           H  
HETATM   27  H15 UNL     1      -4.775  -1.861   0.301  1.00  0.00           H  
CONECT    1    2    2   13
CONECT    2    3    4
CONECT    3   14   15
CONECT    4    5   16   17
CONECT    5    6   18   19
CONECT    6    7   20   21
CONECT    7    8   22   23
CONECT    8    9   10   24
CONECT    9   25   26
CONECT   10   11   11   12
CONECT   12   27
END
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SMILES for HMDB0245671 (2,7-Diamino-7-iminoheptanoic acid)

NC(CCCCC(N)=N)C(O)=O
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INCHI for HMDB0245671 (2,7-Diamino-7-iminoheptanoic acid)

InChI=1S/C7H15N3O2/c8-5(7(11)12)3-1-2-4-6(9)10/h5H,1-4,8H2,(H3,9,10)(H,11,12)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
Indospicine, (+-)-isomerMeSH
6-Amidino-2-aminohexanoic acidMeSH
IndospicineMeSH
L-IndospicineChEMBL, HMDB
2-amino-6-CarbamimidoylhexanoateGenerator, HMDB
2,7-Diamino-7-iminoheptanoateGenerator
Chemical FormulaC7H15N3O2
Average Molecular Weight173.216
Monoisotopic Molecular Weight173.116426735
IUPAC Name2-amino-6-carbamimidoylhexanoic acid
Traditional Name6-amidino-2-aminohexanoic acid
CAS Registry NumberNot Available
SMILES
NC(CCCCC(N)=N)C(O)=O
InChI Identifier
InChI=1S/C7H15N3O2/c8-5(7(11)12)3-1-2-4-6(9)10/h5H,1-4,8H2,(H3,9,10)(H,11,12)
InChI KeySILQDLDAWPQMEL-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
  • Medium-chain fatty acid
  • Amino fatty acid
  • Fatty acyl
  • Fatty acid
  • Amino acid
  • Amidine
  • Carboxylic acid amidine
  • Carboxylic acid
  • Carboximidamide
  • Monocarboxylic acid or derivatives
  • Organic nitrogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Primary amine
  • Primary aliphatic amine
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Organopnictogen compound
  • Amine
  • Organic oxygen compound
  • 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-3.5ALOGPS
logP-2.4ChemAxon
logS-2ALOGPS
pKa (Strongest Acidic)2.53ChemAxon
pKa (Strongest Basic)12.88ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area113.19 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity54.91 m³·mol⁻¹ChemAxon
Polarizability18.56 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]+136.30130932474
DeepCCS[M-H]-132.58130932474
DeepCCS[M-2H]-170.12430932474
DeepCCS[M+Na]+145.43930932474
AllCCS[M+H]+139.432859911
AllCCS[M+H-H2O]+135.532859911
AllCCS[M+NH4]+142.932859911
AllCCS[M+Na]+143.932859911
AllCCS[M-H]-136.432859911
AllCCS[M+Na-2H]-137.932859911
AllCCS[M+HCOO]-139.732859911

Predicted Kovats Retention Indices

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
2,7-Diamino-7-iminoheptanoic acid,1TMS,isomer #2C[Si](C)(C)NC(CCCCC(=N)N)C(=O)O1963.1Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,1TMS,isomer #2C[Si](C)(C)NC(CCCCC(=N)N)C(=O)O1674.9Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,1TMS,isomer #2C[Si](C)(C)NC(CCCCC(=N)N)C(=O)O3884.8Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,1TMS,isomer #3C[Si](C)(C)NC(=N)CCCCC(N)C(=O)O2016.7Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,1TMS,isomer #3C[Si](C)(C)NC(=N)CCCCC(N)C(=O)O1776.9Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,1TMS,isomer #3C[Si](C)(C)NC(=N)CCCCC(N)C(=O)O3871.0Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TMS,isomer #1C[Si](C)(C)NC(CCCCC(=N)N)C(=O)O[Si](C)(C)C1935.7Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TMS,isomer #1C[Si](C)(C)NC(CCCCC(=N)N)C(=O)O[Si](C)(C)C1749.9Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TMS,isomer #1C[Si](C)(C)NC(CCCCC(=N)N)C(=O)O[Si](C)(C)C3609.9Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TMS,isomer #2C[Si](C)(C)NC(=N)CCCCC(N)C(=O)O[Si](C)(C)C2032.8Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TMS,isomer #2C[Si](C)(C)NC(=N)CCCCC(N)C(=O)O[Si](C)(C)C1880.8Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TMS,isomer #2C[Si](C)(C)NC(=N)CCCCC(N)C(=O)O[Si](C)(C)C3362.9Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TMS,isomer #3C[Si](C)(C)N=C(N)CCCCC(N)C(=O)O[Si](C)(C)C1886.4Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TMS,isomer #3C[Si](C)(C)N=C(N)CCCCC(N)C(=O)O[Si](C)(C)C1831.9Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TMS,isomer #3C[Si](C)(C)N=C(N)CCCCC(N)C(=O)O[Si](C)(C)C3522.4Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TMS,isomer #4C[Si](C)(C)NC(=N)CCCCC(N[Si](C)(C)C)C(=O)O2121.0Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TMS,isomer #4C[Si](C)(C)NC(=N)CCCCC(N[Si](C)(C)C)C(=O)O1860.2Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TMS,isomer #4C[Si](C)(C)NC(=N)CCCCC(N[Si](C)(C)C)C(=O)O3338.5Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TMS,isomer #5C[Si](C)(C)N(C(CCCCC(=N)N)C(=O)O)[Si](C)(C)C2102.7Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TMS,isomer #5C[Si](C)(C)N(C(CCCCC(=N)N)C(=O)O)[Si](C)(C)C1811.4Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TMS,isomer #5C[Si](C)(C)N(C(CCCCC(=N)N)C(=O)O)[Si](C)(C)C3812.5Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TMS,isomer #6C[Si](C)(C)N=C(N)CCCCC(N[Si](C)(C)C)C(=O)O1985.6Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TMS,isomer #6C[Si](C)(C)N=C(N)CCCCC(N[Si](C)(C)C)C(=O)O1836.3Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TMS,isomer #6C[Si](C)(C)N=C(N)CCCCC(N[Si](C)(C)C)C(=O)O3362.3Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TMS,isomer #7C[Si](C)(C)N(C(=N)CCCCC(N)C(=O)O)[Si](C)(C)C2106.3Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TMS,isomer #7C[Si](C)(C)N(C(=N)CCCCC(N)C(=O)O)[Si](C)(C)C1969.3Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TMS,isomer #7C[Si](C)(C)N(C(=N)CCCCC(N)C(=O)O)[Si](C)(C)C3547.2Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TMS,isomer #8C[Si](C)(C)N=C(CCCCC(N)C(=O)O)N[Si](C)(C)C1966.4Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TMS,isomer #8C[Si](C)(C)N=C(CCCCC(N)C(=O)O)N[Si](C)(C)C1856.2Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TMS,isomer #8C[Si](C)(C)N=C(CCCCC(N)C(=O)O)N[Si](C)(C)C3422.7Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TMS,isomer #1C[Si](C)(C)NC(=N)CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C2116.6Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TMS,isomer #1C[Si](C)(C)NC(=N)CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C1963.2Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TMS,isomer #1C[Si](C)(C)NC(=N)CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C2914.8Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TMS,isomer #10C[Si](C)(C)N=C(CCCCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2089.4Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TMS,isomer #10C[Si](C)(C)N=C(CCCCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2042.9Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TMS,isomer #10C[Si](C)(C)N=C(CCCCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C3099.0Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TMS,isomer #2C[Si](C)(C)OC(=O)C(CCCCC(=N)N)N([Si](C)(C)C)[Si](C)(C)C2095.6Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TMS,isomer #2C[Si](C)(C)OC(=O)C(CCCCC(=N)N)N([Si](C)(C)C)[Si](C)(C)C1870.1Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TMS,isomer #2C[Si](C)(C)OC(=O)C(CCCCC(=N)N)N([Si](C)(C)C)[Si](C)(C)C3466.3Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TMS,isomer #3C[Si](C)(C)N=C(N)CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C1989.9Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TMS,isomer #3C[Si](C)(C)N=C(N)CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C1852.9Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TMS,isomer #3C[Si](C)(C)N=C(N)CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C3179.7Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TMS,isomer #4C[Si](C)(C)OC(=O)C(N)CCCCC(=N)N([Si](C)(C)C)[Si](C)(C)C2065.1Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TMS,isomer #4C[Si](C)(C)OC(=O)C(N)CCCCC(=N)N([Si](C)(C)C)[Si](C)(C)C2061.6Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TMS,isomer #4C[Si](C)(C)OC(=O)C(N)CCCCC(=N)N([Si](C)(C)C)[Si](C)(C)C3011.9Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TMS,isomer #5C[Si](C)(C)N=C(CCCCC(N)C(=O)O[Si](C)(C)C)N[Si](C)(C)C1985.1Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TMS,isomer #5C[Si](C)(C)N=C(CCCCC(N)C(=O)O[Si](C)(C)C)N[Si](C)(C)C1928.5Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TMS,isomer #5C[Si](C)(C)N=C(CCCCC(N)C(=O)O[Si](C)(C)C)N[Si](C)(C)C2995.7Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TMS,isomer #6C[Si](C)(C)NC(CCCCC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2163.8Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TMS,isomer #6C[Si](C)(C)NC(CCCCC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2030.2Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TMS,isomer #6C[Si](C)(C)NC(CCCCC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2836.4Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TMS,isomer #7C[Si](C)(C)N=C(CCCCC(N[Si](C)(C)C)C(=O)O)N[Si](C)(C)C2057.3Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TMS,isomer #7C[Si](C)(C)N=C(CCCCC(N[Si](C)(C)C)C(=O)O)N[Si](C)(C)C1930.6Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TMS,isomer #7C[Si](C)(C)N=C(CCCCC(N[Si](C)(C)C)C(=O)O)N[Si](C)(C)C2886.3Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TMS,isomer #8C[Si](C)(C)NC(=N)CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2234.0Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TMS,isomer #8C[Si](C)(C)NC(=N)CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C1998.9Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TMS,isomer #8C[Si](C)(C)NC(=N)CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C3053.1Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TMS,isomer #9C[Si](C)(C)N=C(N)CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2123.4Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TMS,isomer #9C[Si](C)(C)N=C(N)CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C1961.9Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TMS,isomer #9C[Si](C)(C)N=C(N)CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C3288.8Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TMS,isomer #1C[Si](C)(C)NC(CCCCC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2124.4Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TMS,isomer #1C[Si](C)(C)NC(CCCCC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2129.3Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TMS,isomer #1C[Si](C)(C)NC(CCCCC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2496.0Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TMS,isomer #2C[Si](C)(C)N=C(CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C2048.3Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TMS,isomer #2C[Si](C)(C)N=C(CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C1958.9Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TMS,isomer #2C[Si](C)(C)N=C(CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C2531.4Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TMS,isomer #3C[Si](C)(C)NC(=N)CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2238.2Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TMS,isomer #3C[Si](C)(C)NC(=N)CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2072.8Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TMS,isomer #3C[Si](C)(C)NC(=N)CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2719.2Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TMS,isomer #4C[Si](C)(C)N=C(N)CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2116.8Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TMS,isomer #4C[Si](C)(C)N=C(N)CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1961.1Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TMS,isomer #4C[Si](C)(C)N=C(N)CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3149.5Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TMS,isomer #5C[Si](C)(C)N=C(CCCCC(N)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2076.4Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TMS,isomer #5C[Si](C)(C)N=C(CCCCC(N)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2088.6Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TMS,isomer #5C[Si](C)(C)N=C(CCCCC(N)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2686.5Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TMS,isomer #6C[Si](C)(C)N(C(=N)CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2296.9Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TMS,isomer #6C[Si](C)(C)N(C(=N)CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2180.4Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TMS,isomer #6C[Si](C)(C)N(C(=N)CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2664.9Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TMS,isomer #7C[Si](C)(C)N=C(CCCCC(N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2155.3Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TMS,isomer #7C[Si](C)(C)N=C(CCCCC(N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2110.5Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TMS,isomer #7C[Si](C)(C)N=C(CCCCC(N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2511.5Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TMS,isomer #8C[Si](C)(C)N=C(CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C2215.1Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TMS,isomer #8C[Si](C)(C)N=C(CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C2049.1Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TMS,isomer #8C[Si](C)(C)N=C(CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C2680.7Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,5TMS,isomer #1C[Si](C)(C)OC(=O)C(CCCCC(=N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2320.0Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,5TMS,isomer #1C[Si](C)(C)OC(=O)C(CCCCC(=N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2244.8Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,5TMS,isomer #1C[Si](C)(C)OC(=O)C(CCCCC(=N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2399.9Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,5TMS,isomer #2C[Si](C)(C)N=C(CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2125.8Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,5TMS,isomer #2C[Si](C)(C)N=C(CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2122.3Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,5TMS,isomer #2C[Si](C)(C)N=C(CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2218.0Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,5TMS,isomer #3C[Si](C)(C)N=C(CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C2236.9Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,5TMS,isomer #3C[Si](C)(C)N=C(CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C2055.6Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,5TMS,isomer #3C[Si](C)(C)N=C(CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C2430.3Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,5TMS,isomer #4C[Si](C)(C)N=C(CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2308.8Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,5TMS,isomer #4C[Si](C)(C)N=C(CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2214.3Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,5TMS,isomer #4C[Si](C)(C)N=C(CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2379.4Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,6TMS,isomer #1C[Si](C)(C)N=C(CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2372.2Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,6TMS,isomer #1C[Si](C)(C)N=C(CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2206.9Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,6TMS,isomer #1C[Si](C)(C)N=C(CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2166.5Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(CCCCC(=N)N)C(=O)O2188.6Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(CCCCC(=N)N)C(=O)O1920.4Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(CCCCC(=N)N)C(=O)O3948.7Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CCCCC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C2410.6Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CCCCC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C2171.1Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CCCCC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C3560.9Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=N)CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C2520.0Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=N)CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C2304.3Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=N)CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C3205.5Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(N)CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C2383.5Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(N)CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C2233.3Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(N)CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C3553.8Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=N)CCCCC(N[Si](C)(C)C(C)(C)C)C(=O)O2619.3Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=N)CCCCC(N[Si](C)(C)C(C)(C)C)C(=O)O2295.9Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=N)CCCCC(N[Si](C)(C)C(C)(C)C)C(=O)O3114.6Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(CCCCC(=N)N)C(=O)O)[Si](C)(C)C(C)(C)C2511.4Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(CCCCC(=N)N)C(=O)O)[Si](C)(C)C(C)(C)C2219.8Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(CCCCC(=N)N)C(=O)O)[Si](C)(C)C(C)(C)C3714.1Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N=C(N)CCCCC(N[Si](C)(C)C(C)(C)C)C(=O)O2475.6Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N=C(N)CCCCC(N[Si](C)(C)C(C)(C)C)C(=O)O2247.4Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N=C(N)CCCCC(N[Si](C)(C)C(C)(C)C)C(=O)O3373.9Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N(C(=N)CCCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C2542.7Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N(C(=N)CCCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C2393.0Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N(C(=N)CCCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C3335.1Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N=C(CCCCC(N)C(=O)O)N[Si](C)(C)C(C)(C)C2481.3Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N=C(CCCCC(N)C(=O)O)N[Si](C)(C)C(C)(C)C2253.5Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N=C(CCCCC(N)C(=O)O)N[Si](C)(C)C(C)(C)C3236.3Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=N)CCCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2814.6Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=N)CCCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2527.7Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=N)CCCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2881.8Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N=C(CCCCC(N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2743.5Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N=C(CCCCC(N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2589.5Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N=C(CCCCC(N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3022.0Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(CCCCC(=N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2728.6Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(CCCCC(=N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2464.2Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(CCCCC(=N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3444.4Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(N)CCCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2665.1Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(N)CCCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2421.5Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(N)CCCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3281.1Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCCC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2752.3Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCCC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2642.6Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCCC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2994.1Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2695.7Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2452.3Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2982.6Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(CCCCC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2866.2Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(CCCCC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2625.2Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(CCCCC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2905.2Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(CCCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)N[Si](C)(C)C(C)(C)C2761.6Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(CCCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)N[Si](C)(C)C(C)(C)C2444.8Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(CCCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)N[Si](C)(C)C(C)(C)C2887.1Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(=N)CCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2891.1Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(=N)CCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2556.6Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(=N)CCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2984.1Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N=C(N)CCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2757.6Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N=C(N)CCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2504.0Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N=C(N)CCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3347.9Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CCCCC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3038.0Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CCCCC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2826.8Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CCCCC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2781.2Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(CCCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2926.8Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(CCCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2613.5Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(CCCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2776.7Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=N)CCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3094.4Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=N)CCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2763.7Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=N)CCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2869.4Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N)CCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2984.6Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N)CCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2682.1Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N)CCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3278.5Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2952.4Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2757.2Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2881.8Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N(C(=N)CCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3128.8Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N(C(=N)CCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2853.9Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N(C(=N)CCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2870.1Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(CCCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3028.7Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(CCCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2759.1Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(CCCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2780.8Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)N=C(CCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3044.7Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)N=C(CCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2687.5Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)N=C(CCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2861.5Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CCCCC(=N)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)C3341.1Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CCCCC(=N)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)C3059.9Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CCCCC(=N)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)C2771.0Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(CCCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3190.9Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(CCCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2921.9Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(CCCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2699.5Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(CCCCC(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)N[Si](C)(C)C(C)(C)C3277.3Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(CCCCC(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)N[Si](C)(C)C(C)(C)C2868.1Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(CCCCC(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)N[Si](C)(C)C(C)(C)C2796.9Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(CCCCC(C(=O)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)C3324.7Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(CCCCC(C(=O)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)C2989.5Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(CCCCC(C(=O)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)C2751.5Standard polar33892256
2,7-Diamino-7-iminoheptanoic acid,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(CCCCC(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)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3537.1Semi standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(CCCCC(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)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3169.3Standard non polar33892256
2,7-Diamino-7-iminoheptanoic acid,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(CCCCC(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)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2741.5Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 2,7-Diamino-7-iminoheptanoic acid GC-MS (Non-derivatized) - 70eV, Positivesplash10-002f-9100000000-bcea01fcf6cdf24c04c52021-09-23Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2,7-Diamino-7-iminoheptanoic acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2,7-Diamino-7-iminoheptanoic acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2,7-Diamino-7-iminoheptanoic acid GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2,7-Diamino-7-iminoheptanoic acid GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2,7-Diamino-7-iminoheptanoic acid GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2,7-Diamino-7-iminoheptanoic acid GC-MS (TBDMS_1_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2,7-Diamino-7-iminoheptanoic acid GC-MS (TBDMS_1_4) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,7-Diamino-7-iminoheptanoic acid 10V, Positive-QTOFsplash10-0c29-0900000000-0c2259a887b4c4b48bbd2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,7-Diamino-7-iminoheptanoic acid 20V, Positive-QTOFsplash10-03e9-8900000000-6f78813f66a0898039592021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,7-Diamino-7-iminoheptanoic acid 40V, Positive-QTOFsplash10-01bc-9000000000-e6c8f3948da103edc13f2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,7-Diamino-7-iminoheptanoic acid 10V, Negative-QTOFsplash10-00di-0900000000-3e6de0869f35ff0c523e2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,7-Diamino-7-iminoheptanoic acid 20V, Negative-QTOFsplash10-00di-1900000000-e64e4752550d009076402021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,7-Diamino-7-iminoheptanoic acid 40V, Negative-QTOFsplash10-0006-9000000000-dd730a202e08b8b7420b2021-10-12Wishart 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 NMR1H NMR Spectrum (1D, 1000 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 NMR13C NMR Spectrum (1D, 200 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, 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 NMR1H NMR Spectrum (1D, 400 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, 500 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 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 NMR1H NMR Spectrum (1D, 800 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, 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 ID3677221
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound4479245
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 ]