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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 12:42:04 UTC

Update Date

2021-09-26 23:07:17 UTC

HMDB ID

HMDB0253828

Secondary Accession Numbers

None

Metabolite Identification

Common Name

7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C

Description

7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C belongs to the class of organic compounds known as mitomycins. These are polycyclic compounds with a structure based on an aziridine ring linked to a 7-amino-6-methyl-cyclohexa[b]pyrrolizine-5,8-dione. Based on a literature review a significant number of articles have been published on 7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C. This compound has been identified in human blood as reported by (PMID: 31557052 ). 7-n-(2-((2-(gamma-l-glutamylamino)ethyl)dithio)ethyl)mitomycin c is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

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

  Mrv1652309112114422D          

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 36 40  1  0  0  0  0
M  END

HMDB0253828
     RDKit          3D
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C
 74 77  0  0  0  0  0  0  0  0999 V2000
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M  END

  Mrv1652309112114422D          

 40 43  0  0  0  0            999 V2000
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    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
  6 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
 13 23  1  0  0  0  0
 12 23  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 36 40  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0253828

> <DATABASE_NAME>
hmdb

> <SMILES>
COC12C3NC3CN1C1=C(C2COC(N)=O)C(=O)C(NCCSSCCNC(=O)CCC(N)C(O)=O)=C(C)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C24H34N6O8S2/c1-11-17(28-6-8-40-39-7-5-27-15(31)4-3-13(25)22(34)35)20(33)16-12(10-38-23(26)36)24(37-2)21-14(29-21)9-30(24)18(16)19(11)32/h12-14,21,28-29H,3-10,25H2,1-2H3,(H2,26,36)(H,27,31)(H,34,35)

> <INCHI_KEY>
BIOSTZMAOGCGSC-UHFFFAOYSA-N

> <FORMULA>
C24H34N6O8S2

> <MOLECULAR_WEIGHT>
598.69

> <EXACT_MASS>
598.187954427

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
74

> <JCHEM_AVERAGE_POLARIZABILITY>
61.59030504142218

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-4-[(2-{[2-({8-[(carbamoyloxy)methyl]-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.0^{2,7}.0^{4,6}]trideca-1(9),11-dien-11-yl}amino)ethyl]disulfanyl}ethyl)carbamoyl]butanoic acid

> <ALOGPS_LOGP>
-1.12

> <JCHEM_LOGP>
-7.820533871563493

> <ALOGPS_LOGS>
-3.24

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
2.028488131306585

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.8677002902842119

> <JCHEM_PKA_STRONGEST_BASIC>
9.31341131120206

> <JCHEM_POLAR_SURFACE_AREA>
225.32

> <JCHEM_REFRACTIVITY>
149.4245

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.48e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-amino-4-[(2-{[2-({8-[(carbamoyloxy)methyl]-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.0^{2,7}.0^{4,6}]trideca-1(9),11-dien-11-yl}amino)ethyl]disulfanyl}ethyl)carbamoyl]butanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0253828
     RDKit          3D
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C
 74 77  0  0  0  0  0  0  0  0999 V2000
   -5.7292    3.2456    0.3463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2231    2.3601    1.3067 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6066    1.0958    1.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1336    0.5575   -0.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8126   -0.7762   -0.4375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7295   -1.5142   -1.5296 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8828   -2.1525   -2.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2718   -2.8798   -3.4556 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6548   -2.1570   -2.0081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6846    0.3983   -0.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5477    0.1482    1.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2224   -0.0153    1.8089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1123   -0.2477    3.0589 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9972    0.0792    0.9662 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2947   -0.1205    1.6610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1010    0.3183   -0.3041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0051    0.4144   -1.1755 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1785   -0.4514   -1.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8464   -1.8246   -1.5814 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1109   -3.0766   -1.5226 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4200   -3.6973    0.3970 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6742   -3.0511    1.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9422   -1.6025    1.5231 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5516   -0.9499    0.5067 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1790   -0.2763   -0.5455 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9517   -0.0552   -1.6903 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5635    0.3564   -0.0958 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764    0.8341   -1.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6203    1.4306   -0.9693 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4262    2.5711   -0.1160 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3787    1.7511   -2.1481 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6258    3.0946   -2.2393 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9032    1.0833   -3.1862 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4785    0.4872   -0.8534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5436    0.7225   -2.1124 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8556    0.1145    1.8801 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6689   -0.4588    2.8751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0689   -0.2515    2.3231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5050    1.1669    2.6642 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0371    0.7646    1.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8432    3.1499    0.3357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5220    4.3240    0.6497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3010    3.1545   -0.6432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3513    1.2296   -1.1292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4805   -1.3364    0.5272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9382   -0.6601   -0.1885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7647   -2.3998   -4.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0356   -3.9011   -3.5076 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1089   -0.1308    2.7874 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0248    0.6745    1.5367 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6822   -1.1718    1.5066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0337    1.1650   -1.8857 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7714   -0.4088   -0.2618 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -0.0415   -1.9657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0255   -2.2027   -0.8979 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3363   -1.8292   -2.5924 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5288   -3.4486    2.4557 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6743   -3.5463    1.0328 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0181   -1.0630    1.9392 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6246   -1.5088    2.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6621   -1.4661   -0.3726 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1543   -0.4134    0.3848 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3196    1.1447    0.6127 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4825   -0.0418   -2.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6983    1.6244   -1.8698 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2251    0.6644   -0.3803 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3128    3.1049    0.0441 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9468    2.3385    0.7857 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8537    0.7610   -3.2216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5547    0.1041    3.8199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4347   -1.5307    3.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7980   -1.0414    2.4681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5240    1.2043    2.8479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7866    0.9842    0.5660 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  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  4 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 14 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  2  0
 31 33  1  0
 16 34  1  0
 34 35  2  0
 11 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 36  3  1  0
 40 38  1  0
 40  3  1  0
 34 10  1  0
  1 41  1  0
  1 42  1  0
  1 43  1  0
  4 44  1  0
  5 45  1  0
  5 46  1  0
  8 47  1  0
  8 48  1  0
 15 49  1  0
 15 50  1  0
 15 51  1  0
 17 52  1  0
 18 53  1  0
 18 54  1  0
 19 55  1  0
 19 56  1  0
 22 57  1  0
 22 58  1  0
 23 59  1  0
 23 60  1  0
 24 61  1  0
 27 62  1  0
 27 63  1  0
 28 64  1  0
 28 65  1  0
 29 66  1  0
 30 67  1  0
 30 68  1  0
 33 69  1  0
 37 70  1  0
 37 71  1  0
 38 72  1  0
 39 73  1  0
 40 74  1  0
M  END

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -4.001  -2.310   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -5.335  -0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -5.335   1.540   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -4.001   2.310   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -4.001   3.850   0.000  0.00  0.00           O+0
HETATM   10  N   UNK     0      -6.799   2.016   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      -7.705   3.262   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -9.169   2.786   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -9.169   1.246   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -7.705   0.770   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -6.799  -0.476   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -7.275  -1.941   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -8.782  -2.261   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -9.257  -3.725   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0     -10.764  -4.046   0.000  0.00  0.00           O+0
HETATM   20  N   UNK     0      -8.227  -4.870   0.000  0.00  0.00           N+0
HETATM   21  O   UNK     0      -8.610  -0.476   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0     -10.141  -0.315   0.000  0.00  0.00           C+0
HETATM   23  N   UNK     0     -10.503   2.016   0.000  0.00  0.00           N+0
HETATM   24  N   UNK     0      -1.334  -0.770   0.000  0.00  0.00           N+0
HETATM   25  C   UNK     0      -0.000   0.000   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   27  S   UNK     0       2.667   0.000   0.000  0.00  0.00           S+0
HETATM   28  S   UNK     0       4.001  -0.770   0.000  0.00  0.00           S+0
HETATM   29  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   31  N   UNK     0       8.002   0.000   0.000  0.00  0.00           N+0
HETATM   32  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       9.336  -2.310   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      10.669   0.000   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      12.003  -0.770   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      13.337   0.000   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      14.670  -0.770   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      16.004   0.000   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      14.670  -2.310   0.000  0.00  0.00           O+0
HETATM   40  N   UNK     0      13.337   1.540   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3    8                                                  
CONECT    3    2    4   24                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   15                                                  
CONECT    7    6    8   10                                                  
CONECT    8    7    2    9                                                  
CONECT    9    8                                                            
CONECT   10    7   11   14                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   23                                                  
CONECT   13   12   14   23                                                  
CONECT   14   13   10   15   21                                             
CONECT   15   14    6   16                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   14   22                                                       
CONECT   22   21                                                            
CONECT   23   13   12                                                       
CONECT   24    3   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37   40                                                  
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37                                                            
CONECT   40   36                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   86    0
END

COMPND    HMDB0253828
HETATM    1  C1  UNL     1      -5.729   3.246   0.346  1.00  0.00           C  
HETATM    2  O1  UNL     1      -5.223   2.360   1.307  1.00  0.00           O  
HETATM    3  C2  UNL     1      -5.607   1.096   1.062  1.00  0.00           C  
HETATM    4  C3  UNL     1      -5.134   0.558  -0.305  1.00  0.00           C  
HETATM    5  C4  UNL     1      -5.813  -0.776  -0.438  1.00  0.00           C  
HETATM    6  O2  UNL     1      -5.730  -1.514  -1.530  1.00  0.00           O  
HETATM    7  C5  UNL     1      -4.883  -2.153  -2.283  1.00  0.00           C  
HETATM    8  N1  UNL     1      -5.272  -2.880  -3.456  1.00  0.00           N  
HETATM    9  O3  UNL     1      -3.655  -2.157  -2.008  1.00  0.00           O  
HETATM   10  C6  UNL     1      -3.685   0.398  -0.040  1.00  0.00           C  
HETATM   11  C7  UNL     1      -3.548   0.148   1.281  1.00  0.00           C  
HETATM   12  C8  UNL     1      -2.222  -0.015   1.809  1.00  0.00           C  
HETATM   13  O4  UNL     1      -2.112  -0.248   3.059  1.00  0.00           O  
HETATM   14  C9  UNL     1      -0.997   0.079   0.966  1.00  0.00           C  
HETATM   15  C10 UNL     1       0.295  -0.121   1.661  1.00  0.00           C  
HETATM   16  C11 UNL     1      -1.101   0.318  -0.304  1.00  0.00           C  
HETATM   17  N2  UNL     1       0.005   0.414  -1.175  1.00  0.00           N  
HETATM   18  C12 UNL     1       1.178  -0.451  -1.147  1.00  0.00           C  
HETATM   19  C13 UNL     1       0.846  -1.825  -1.581  1.00  0.00           C  
HETATM   20  S1  UNL     1       2.111  -3.077  -1.523  1.00  0.00           S  
HETATM   21  S2  UNL     1       2.420  -3.697   0.397  1.00  0.00           S  
HETATM   22  C14 UNL     1       3.674  -3.051   1.357  1.00  0.00           C  
HETATM   23  C15 UNL     1       3.942  -1.602   1.523  1.00  0.00           C  
HETATM   24  N3  UNL     1       4.552  -0.950   0.507  1.00  0.00           N  
HETATM   25  C16 UNL     1       5.179  -0.276  -0.546  1.00  0.00           C  
HETATM   26  O5  UNL     1       4.952  -0.055  -1.690  1.00  0.00           O  
HETATM   27  C17 UNL     1       6.563   0.356  -0.096  1.00  0.00           C  
HETATM   28  C18 UNL     1       7.276   0.834  -1.329  1.00  0.00           C  
HETATM   29  C19 UNL     1       8.620   1.431  -0.969  1.00  0.00           C  
HETATM   30  N4  UNL     1       8.426   2.571  -0.116  1.00  0.00           N  
HETATM   31  C20 UNL     1       9.379   1.751  -2.148  1.00  0.00           C  
HETATM   32  O6  UNL     1       9.626   3.095  -2.239  1.00  0.00           O  
HETATM   33  O7  UNL     1       9.903   1.083  -3.186  1.00  0.00           O  
HETATM   34  C21 UNL     1      -2.478   0.487  -0.853  1.00  0.00           C  
HETATM   35  O8  UNL     1      -2.544   0.723  -2.112  1.00  0.00           O  
HETATM   36  N5  UNL     1      -4.856   0.114   1.880  1.00  0.00           N  
HETATM   37  C22 UNL     1      -5.669  -0.459   2.875  1.00  0.00           C  
HETATM   38  C23 UNL     1      -7.069  -0.251   2.323  1.00  0.00           C  
HETATM   39  N6  UNL     1      -7.505   1.167   2.664  1.00  0.00           N  
HETATM   40  C24 UNL     1      -7.037   0.765   1.349  1.00  0.00           C  
HETATM   41  H1  UNL     1      -6.843   3.150   0.336  1.00  0.00           H  
HETATM   42  H2  UNL     1      -5.522   4.324   0.650  1.00  0.00           H  
HETATM   43  H3  UNL     1      -5.301   3.154  -0.643  1.00  0.00           H  
HETATM   44  H4  UNL     1      -5.351   1.230  -1.129  1.00  0.00           H  
HETATM   45  H5  UNL     1      -5.480  -1.336   0.527  1.00  0.00           H  
HETATM   46  H6  UNL     1      -6.938  -0.660  -0.188  1.00  0.00           H  
HETATM   47  H7  UNL     1      -5.765  -2.400  -4.219  1.00  0.00           H  
HETATM   48  H8  UNL     1      -5.036  -3.901  -3.508  1.00  0.00           H  
HETATM   49  H9  UNL     1       0.109  -0.131   2.787  1.00  0.00           H  
HETATM   50  H10 UNL     1       1.025   0.675   1.537  1.00  0.00           H  
HETATM   51  H11 UNL     1       0.682  -1.172   1.507  1.00  0.00           H  
HETATM   52  H12 UNL     1      -0.034   1.165  -1.886  1.00  0.00           H  
HETATM   53  H13 UNL     1       1.771  -0.409  -0.262  1.00  0.00           H  
HETATM   54  H14 UNL     1       1.888  -0.042  -1.966  1.00  0.00           H  
HETATM   55  H15 UNL     1      -0.026  -2.203  -0.898  1.00  0.00           H  
HETATM   56  H16 UNL     1       0.336  -1.829  -2.592  1.00  0.00           H  
HETATM   57  H17 UNL     1       3.529  -3.449   2.456  1.00  0.00           H  
HETATM   58  H18 UNL     1       4.674  -3.546   1.033  1.00  0.00           H  
HETATM   59  H19 UNL     1       3.018  -1.063   1.939  1.00  0.00           H  
HETATM   60  H20 UNL     1       4.625  -1.509   2.467  1.00  0.00           H  
HETATM   61  H21 UNL     1       3.662  -1.466  -0.373  1.00  0.00           H  
HETATM   62  H22 UNL     1       7.154  -0.413   0.385  1.00  0.00           H  
HETATM   63  H23 UNL     1       6.320   1.145   0.613  1.00  0.00           H  
HETATM   64  H24 UNL     1       7.483  -0.042  -2.002  1.00  0.00           H  
HETATM   65  H25 UNL     1       6.698   1.624  -1.870  1.00  0.00           H  
HETATM   66  H26 UNL     1       9.225   0.664  -0.380  1.00  0.00           H  
HETATM   67  H27 UNL     1       9.313   3.105   0.044  1.00  0.00           H  
HETATM   68  H28 UNL     1       7.947   2.338   0.786  1.00  0.00           H  
HETATM   69  H29 UNL     1      10.854   0.761  -3.222  1.00  0.00           H  
HETATM   70  H30 UNL     1      -5.555   0.104   3.820  1.00  0.00           H  
HETATM   71  H31 UNL     1      -5.435  -1.531   3.077  1.00  0.00           H  
HETATM   72  H32 UNL     1      -7.798  -1.041   2.468  1.00  0.00           H  
HETATM   73  H33 UNL     1      -8.524   1.204   2.848  1.00  0.00           H  
HETATM   74  H34 UNL     1      -7.787   0.984   0.566  1.00  0.00           H  
CONECT    1    2   41   42   43
CONECT    2    3
CONECT    3    4   36   40
CONECT    4    5   10   44
CONECT    5    6   45   46
CONECT    6    7
CONECT    7    8    9    9
CONECT    8   47   48
CONECT   10   11   11   34
CONECT   11   12   36
CONECT   12   13   13   14
CONECT   14   15   16   16
CONECT   15   49   50   51
CONECT   16   17   34
CONECT   17   18   52
CONECT   18   19   53   54
CONECT   19   20   55   56
CONECT   20   21
CONECT   21   22
CONECT   22   23   57   58
CONECT   23   24   59   60
CONECT   24   25   61
CONECT   25   26   26   27
CONECT   27   28   62   63
CONECT   28   29   64   65
CONECT   29   30   31   66
CONECT   30   67   68
CONECT   31   32   32   33
CONECT   33   69
CONECT   34   35   35
CONECT   36   37
CONECT   37   38   70   71
CONECT   38   39   40   72
CONECT   39   40   73
CONECT   40   74
END

HMDB0253828
     RDKit          3D
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C
 74 77  0  0  0  0  0  0  0  0999 V2000
   -5.7292    3.2456    0.3463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2231    2.3601    1.3067 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6066    1.0958    1.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1336    0.5575   -0.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8126   -0.7762   -0.4375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7295   -1.5142   -1.5296 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8828   -2.1525   -2.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2718   -2.8798   -3.4556 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6548   -2.1570   -2.0081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6846    0.3983   -0.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5477    0.1482    1.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2224   -0.0153    1.8089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1123   -0.2477    3.0589 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9972    0.0792    0.9662 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2947   -0.1205    1.6610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1010    0.3183   -0.3041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0051    0.4144   -1.1755 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1785   -0.4514   -1.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8464   -1.8246   -1.5814 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1109   -3.0766   -1.5226 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4200   -3.6973    0.3970 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6742   -3.0511    1.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9422   -1.6025    1.5231 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5516   -0.9499    0.5067 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1790   -0.2763   -0.5455 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9517   -0.0552   -1.6903 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5635    0.3564   -0.0958 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764    0.8341   -1.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6203    1.4306   -0.9693 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4262    2.5711   -0.1160 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3787    1.7511   -2.1481 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6258    3.0946   -2.2393 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9032    1.0833   -3.1862 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4785    0.4872   -0.8534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5436    0.7225   -2.1124 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8556    0.1145    1.8801 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6689   -0.4588    2.8751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0689   -0.2515    2.3231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5050    1.1669    2.6642 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0371    0.7646    1.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8432    3.1499    0.3357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5220    4.3240    0.6497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3010    3.1545   -0.6432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3513    1.2296   -1.1292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4805   -1.3364    0.5272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9382   -0.6601   -0.1885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7647   -2.3998   -4.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0356   -3.9011   -3.5076 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1089   -0.1308    2.7874 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0248    0.6745    1.5367 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6822   -1.1718    1.5066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0337    1.1650   -1.8857 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7714   -0.4088   -0.2618 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -0.0415   -1.9657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0255   -2.2027   -0.8979 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3363   -1.8292   -2.5924 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5288   -3.4486    2.4557 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6743   -3.5463    1.0328 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0181   -1.0630    1.9392 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6246   -1.5088    2.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6621   -1.4661   -0.3726 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1543   -0.4134    0.3848 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3196    1.1447    0.6127 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4825   -0.0418   -2.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6983    1.6244   -1.8698 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2251    0.6644   -0.3803 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3128    3.1049    0.0441 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9468    2.3385    0.7857 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8537    0.7610   -3.2216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5547    0.1041    3.8199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4347   -1.5307    3.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7980   -1.0414    2.4681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5240    1.2043    2.8479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7866    0.9842    0.5660 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  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  4 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 14 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  2  0
 31 33  1  0
 16 34  1  0
 34 35  2  0
 11 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 36  3  1  0
 40 38  1  0
 40  3  1  0
 34 10  1  0
  1 41  1  0
  1 42  1  0
  1 43  1  0
  4 44  1  0
  5 45  1  0
  5 46  1  0
  8 47  1  0
  8 48  1  0
 15 49  1  0
 15 50  1  0
 15 51  1  0
 17 52  1  0
 18 53  1  0
 18 54  1  0
 19 55  1  0
 19 56  1  0
 22 57  1  0
 22 58  1  0
 23 59  1  0
 23 60  1  0
 24 61  1  0
 27 62  1  0
 27 63  1  0
 28 64  1  0
 28 65  1  0
 29 66  1  0
 30 67  1  0
 30 68  1  0
 33 69  1  0
 37 70  1  0
 37 71  1  0
 38 72  1  0
 39 73  1  0
 40 74  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
7-N-(2-((2-(g-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C	Generator
7-N-(2-((2-(Γ-L-glutamylamino)ethyl)dithio)ethyl)mitomycin C	Generator

Chemical Formula

C₂₄H₃₄N₆O₈S₂

Average Molecular Weight

598.69

Monoisotopic Molecular Weight

598.187954427

IUPAC Name

2-amino-4-[(2-{[2-({8-[(carbamoyloxy)methyl]-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.0^{2,7}.0^{4,6}]trideca-1(9),11-dien-11-yl}amino)ethyl]disulfanyl}ethyl)carbamoyl]butanoic acid

Traditional Name

2-amino-4-[(2-{[2-({8-[(carbamoyloxy)methyl]-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.0^{2,7}.0^{4,6}]trideca-1(9),11-dien-11-yl}amino)ethyl]disulfanyl}ethyl)carbamoyl]butanoic acid

CAS Registry Number

Not Available

SMILES

COC12C3NC3CN1C1=C(C2COC(N)=O)C(=O)C(NCCSSCCNC(=O)CCC(N)C(O)=O)=C(C)C1=O

InChI Identifier

InChI=1S/C24H34N6O8S2/c1-11-17(28-6-8-40-39-7-5-27-15(31)4-3-13(25)22(34)35)20(33)16-12(10-38-23(26)36)24(37-2)21-14(29-21)9-30(24)18(16)19(11)32/h12-14,21,28-29H,3-10,25H2,1-2H3,(H2,26,36)(H,27,31)(H,34,35)

InChI Key

BIOSTZMAOGCGSC-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as mitomycins. These are polycyclic compounds with a structure based on an aziridine ring linked to a 7-amino-6-methyl-cyclohexa[b]pyrrolizine-5,8-dione.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indoles and derivatives

Sub Class

Indolequinones

Direct Parent

Mitomycins

Alternative Parents

Substituents

Mitomycin
Alpha-amino acid
Alpha-amino acid or derivatives
Indole
Pyrrolizine
Quinone
Heterocyclic fatty acid
Piperazine
1,4-diazinane
Fatty acyl
Pyrrolidine
Vinylogous amide
Pyrroline
Ketone
Organic disulfide
Amino acid
Amino acid or derivatives
Dialkyldisulfide
Aziridine
Carboximidic acid
Carboximidic acid derivative
Carboxylic acid derivative
Carboxylic acid
Secondary aliphatic amine
Enamine
Azacycle
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Sulfenyl compound
Monocarboxylic acid or derivatives
Secondary amine
Carbonyl group
Organic nitrogen compound
Imine
Organic oxygen compound
Amine
Organic oxide
Primary aliphatic amine
Hydrocarbon derivative
Organonitrogen compound
Organooxygen compound
Organosulfur compound
Primary amine
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-1.1	ALOGPS
logP	-7.8	ChemAxon
logS	-3.2	ALOGPS
pKa (Strongest Acidic)	0.87	ChemAxon
pKa (Strongest Basic)	9.31	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	225.32 Å²	ChemAxon
Rotatable Bond Count	16	ChemAxon
Refractivity	149.42 m³·mol⁻¹	ChemAxon
Polarizability	61.59 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M-2H]-	257.73	30932474
DeepCCS	[M+Na]+	233.296	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C	COC12C3NC3CN1C1=C(C2COC(N)=O)C(=O)C(NCCSSCCNC(=O)CCC(N)C(O)=O)=C(C)C1=O	6084.2	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C	COC12C3NC3CN1C1=C(C2COC(N)=O)C(=O)C(NCCSSCCNC(=O)CCC(N)C(O)=O)=C(C)C1=O	4430.0	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C	COC12C3NC3CN1C1=C(C2COC(N)=O)C(=O)C(NCCSSCCNC(=O)CCC(N)C(O)=O)=C(C)C1=O	5290.4	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #1	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N)C(=O)O[Si](C)(C)C)C3=O)N1CC1NC12	4949.4	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #1	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N)C(=O)O[Si](C)(C)C)C3=O)N1CC1NC12	4765.6	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #1	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N)C(=O)O[Si](C)(C)C)C3=O)N1CC1NC12	8103.4	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #10	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N)C(=O)O)C3=O)N1CC1C2N1[Si](C)(C)C	4985.3	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #10	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N)C(=O)O)C3=O)N1CC1C2N1[Si](C)(C)C	4792.4	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #10	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N)C(=O)O)C3=O)N1CC1C2N1[Si](C)(C)C	8092.6	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #11	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C3=O)N1CC1NC12	4910.6	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #11	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C3=O)N1CC1NC12	4678.4	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #11	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C3=O)N1CC1NC12	7955.9	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #12	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C3=O)N1CC1NC12	4930.1	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #12	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C3=O)N1CC1NC12	4765.8	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #12	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C3=O)N1CC1NC12	8191.4	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #13	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	5057.0	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #13	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4815.7	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #13	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	8178.7	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #14	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O)C3=O)N1CC1C2N1[Si](C)(C)C	4980.9	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #14	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O)C3=O)N1CC1C2N1[Si](C)(C)C	4737.0	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #14	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O)C3=O)N1CC1C2N1[Si](C)(C)C	8017.6	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #15	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N)C(=O)O)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4890.5	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #15	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N)C(=O)O)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4640.1	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #15	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N)C(=O)O)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	8338.4	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #16	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4900.0	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #16	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4739.3	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #16	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	8519.5	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #17	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4825.2	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #17	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4667.8	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #17	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	8475.4	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #2	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C3=O)N1CC1NC12	4969.9	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #2	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C3=O)N1CC1NC12	4738.4	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #2	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C3=O)N1CC1NC12	8116.9	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #3	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4823.0	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #3	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4618.1	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #3	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	8349.3	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #4	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4859.9	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #4	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4711.7	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #4	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	8530.4	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #5	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N)C(=O)O[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4929.4	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #5	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N)C(=O)O[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4683.8	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #5	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N)C(=O)O[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	8391.9	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #6	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O)C3=O)N1CC1NC12	5034.0	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #6	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O)C3=O)N1CC1NC12	4802.0	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #6	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O)C3=O)N1CC1NC12	7881.6	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #7	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N)C(=O)O)C3=O)N1CC1NC12	4982.3	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #7	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N)C(=O)O)C3=O)N1CC1NC12	4836.6	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #7	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N)C(=O)O)C3=O)N1CC1NC12	8251.8	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #8	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N)C(=O)O)[Si](C)(C)C)C3=O)N1CC1NC12	4913.5	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #8	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N)C(=O)O)[Si](C)(C)C)C3=O)N1CC1NC12	4724.1	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #8	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N)C(=O)O)[Si](C)(C)C)C3=O)N1CC1NC12	8032.3	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #9	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)C3=O)N1CC1NC12	4916.6	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #9	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)C3=O)N1CC1NC12	4821.3	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TMS,isomer #9	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)C3=O)N1CC1NC12	8265.0	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #1	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C3=O)N1CC1NC12	4918.3	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #1	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C3=O)N1CC1NC12	4820.1	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #1	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C3=O)N1CC1NC12	7386.5	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #10	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4716.6	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #10	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4686.6	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #10	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	8067.1	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #11	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4775.8	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #11	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4648.2	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #11	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	7933.3	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #12	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4792.6	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #12	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4730.0	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #12	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	8123.4	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #13	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O)C3=O)N1CC1NC12	4941.9	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #13	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O)C3=O)N1CC1NC12	4847.0	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #13	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O)C3=O)N1CC1NC12	7421.8	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #14	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C3=O)N1CC1NC12	4886.5	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #14	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C3=O)N1CC1NC12	4776.8	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #14	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C3=O)N1CC1NC12	7174.8	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #15	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C3=O)N1CC1NC12	4896.3	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #15	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C3=O)N1CC1NC12	4849.4	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #15	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C3=O)N1CC1NC12	7492.0	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #16	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	5017.1	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #16	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4885.1	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #16	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	7440.9	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #17	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O)C3=O)N1CC1C2N1[Si](C)(C)C	4969.0	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #17	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O)C3=O)N1CC1C2N1[Si](C)(C)C	4813.8	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #17	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O)C3=O)N1CC1C2N1[Si](C)(C)C	7272.7	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #18	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N)C(=O)O)[Si](C)(C)C)C3=O)N1CC1NC12	4856.5	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #18	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N)C(=O)O)[Si](C)(C)C)C3=O)N1CC1NC12	4793.9	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #18	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N)C(=O)O)[Si](C)(C)C)C3=O)N1CC1NC12	7682.2	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #19	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)C3=O)N1CC1NC12	4846.0	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #19	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)C3=O)N1CC1NC12	4881.4	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #19	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)C3=O)N1CC1NC12	7930.2	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #2	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N)C(=O)O[Si](C)(C)C)C3=O)N1CC1NC12	4860.7	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #2	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N)C(=O)O[Si](C)(C)C)C3=O)N1CC1NC12	4821.6	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #2	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N)C(=O)O[Si](C)(C)C)C3=O)N1CC1NC12	7759.6	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #20	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N)C(=O)O)C3=O)N1CC1C2N1[Si](C)(C)C	4913.8	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #20	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N)C(=O)O)C3=O)N1CC1C2N1[Si](C)(C)C	4836.5	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #20	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N)C(=O)O)C3=O)N1CC1C2N1[Si](C)(C)C	7755.3	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #21	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4808.9	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #21	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4787.9	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #21	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	7705.0	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #22	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N)C(=O)O)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4861.9	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #22	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N)C(=O)O)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4754.3	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #22	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N)C(=O)O)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	7529.3	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #23	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4873.2	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #23	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4844.2	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #23	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	7784.6	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #24	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4790.4	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #24	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4746.1	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #24	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	7649.2	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #25	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4906.2	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #25	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4784.9	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #25	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	7632.5	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #26	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4837.6	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #26	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4711.3	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #26	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	7471.7	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #27	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4926.7	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #27	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4871.3	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #27	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	7878.5	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #28	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4864.1	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #28	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4790.8	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #28	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	7728.3	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #29	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4989.2	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #29	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4824.8	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #29	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	7705.7	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #3	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4797.1	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #3	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4732.3	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #3	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	7523.3	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #30	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4782.3	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #30	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4709.4	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #30	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	8068.7	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #4	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4819.4	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #4	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4815.6	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #4	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	7778.9	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #5	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N)C(=O)O[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4886.7	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #5	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N)C(=O)O[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4769.4	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #5	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N)C(=O)O[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	7608.3	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #6	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4789.8	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #6	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4718.3	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #6	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	7558.6	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #7	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4821.6	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #7	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4794.1	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #7	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	7813.9	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #8	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4958.5	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #8	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4842.0	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #8	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	7830.0	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #9	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4890.8	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #9	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4750.3	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,3TMS,isomer #9	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	7640.5	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #1	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C3=O)N1CC1NC12	4836.5	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #1	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C3=O)N1CC1NC12	4866.1	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #1	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C3=O)N1CC1NC12	6978.6	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #10	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4761.1	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #10	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4735.3	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #10	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	7054.2	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #11	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4770.5	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #11	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4810.4	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #11	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	7317.7	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #12	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4697.3	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #12	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4774.4	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #12	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	7268.7	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #13	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4834.1	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #13	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4821.8	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #13	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	7287.0	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #14	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4745.9	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #14	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4723.1	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #14	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	7104.1	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #15	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4861.4	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #15	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4895.5	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #15	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	7534.0	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #16	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4757.5	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #16	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4795.3	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #16	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	7363.7	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #17	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4906.4	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #17	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4833.5	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #17	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	7379.6	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #18	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4685.4	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #18	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4699.3	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #18	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	7682.8	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #19	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C3=O)N1CC1NC12	4840.8	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #19	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C3=O)N1CC1NC12	4836.1	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #19	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C3=O)N1CC1NC12	6763.1	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #2	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4795.3	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #2	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4800.0	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #2	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	6681.9	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #20	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C3=O)N1CC1NC12	4823.9	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #20	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C3=O)N1CC1NC12	4905.4	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #20	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C3=O)N1CC1NC12	7084.5	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #21	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4940.0	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #21	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4942.3	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #21	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	7049.5	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #22	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O)C3=O)N1CC1C2N1[Si](C)(C)C	4885.9	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #22	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O)C3=O)N1CC1C2N1[Si](C)(C)C	4851.1	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #22	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O)C3=O)N1CC1C2N1[Si](C)(C)C	6893.0	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #23	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4796.2	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #23	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4835.7	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #23	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	6809.4	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #24	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4904.9	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #24	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4870.2	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #24	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	6780.7	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #25	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4836.2	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #25	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4789.8	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #25	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	6619.4	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #26	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4906.0	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #26	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4942.4	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #26	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	7100.2	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #27	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4847.4	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #27	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4861.2	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #27	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	6942.4	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #28	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4967.6	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #28	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4888.0	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #28	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	6909.9	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #29	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4782.1	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #29	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4861.3	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #29	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	7367.2	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #3	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4795.0	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #3	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4870.0	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #3	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	7016.4	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #30	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N)C(=O)O)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4822.9	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #30	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N)C(=O)O)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4813.1	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #30	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N)C(=O)O)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	7207.2	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #31	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4816.2	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #31	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4891.1	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #31	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	7461.1	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #32	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4778.8	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #32	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4809.4	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #32	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	7229.8	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4844.6	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4855.2	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	7338.1	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #34	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4743.0	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #34	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4765.4	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #34	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	7195.1	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #35	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4875.9	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #35	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4800.2	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #35	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	7177.9	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #36	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4887.9	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #36	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4876.5	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #36	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	7430.8	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #4	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4918.2	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #4	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4895.4	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #4	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	7027.2	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #5	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4865.1	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #5	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4812.5	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #5	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	6816.0	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #6	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4758.9	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #6	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4802.1	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #6	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	7196.6	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #7	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4760.2	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #7	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4876.8	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #7	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	7452.6	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #8	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N)C(=O)O[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4807.5	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #8	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N)C(=O)O[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	4815.2	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #8	COC12C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N)C(=O)O[Si](C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C	7294.8	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #9	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4716.7	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #9	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	4786.2	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,4TMS,isomer #9	COC12C(COC(=O)N[Si](C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C3=O)N1CC1NC12	7219.5	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #1	COC12C(COC(=O)N[Si](C)(C)C(C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C3=O)N1CC1NC12	5298.2	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #1	COC12C(COC(=O)N[Si](C)(C)C(C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C3=O)N1CC1NC12	5133.5	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #1	COC12C(COC(=O)N[Si](C)(C)C(C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C3=O)N1CC1NC12	7811.9	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #10	COC12C(COC(=O)N[Si](C)(C)C(C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N)C(=O)O)C3=O)N1CC1C2N1[Si](C)(C)C(C)(C)C	5381.7	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #10	COC12C(COC(=O)N[Si](C)(C)C(C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N)C(=O)O)C3=O)N1CC1C2N1[Si](C)(C)C(C)(C)C	5143.0	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #10	COC12C(COC(=O)N[Si](C)(C)C(C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N)C(=O)O)C3=O)N1CC1C2N1[Si](C)(C)C(C)(C)C	7861.2	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #11	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C3=O)N1CC1NC12	5275.6	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #11	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C3=O)N1CC1NC12	5049.7	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #11	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C3=O)N1CC1NC12	7705.9	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #12	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C3=O)N1CC1NC12	5298.2	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #12	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C3=O)N1CC1NC12	5151.6	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #12	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C3=O)N1CC1NC12	7923.3	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #13	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3=O)N1CC1NC12	5428.6	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #13	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3=O)N1CC1NC12	5154.1	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #13	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3=O)N1CC1NC12	7903.8	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #14	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C3=O)N1CC1C2N1[Si](C)(C)C(C)(C)C	5391.8	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #14	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C3=O)N1CC1C2N1[Si](C)(C)C(C)(C)C	5115.0	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #14	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C3=O)N1CC1C2N1[Si](C)(C)C(C)(C)C	7822.5	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #15	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C(C)(C)C	5273.8	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #15	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C(C)(C)C	4988.8	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #15	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C(C)(C)C	8136.0	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #16	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C(C)(C)C	5289.9	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #16	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C(C)(C)C	5097.1	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #16	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C(C)(C)C	8297.2	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #17	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3=O)N1CC1NC12	5206.1	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #17	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3=O)N1CC1NC12	5022.5	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #17	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCN(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3=O)N1CC1NC12	8210.6	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #2	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C3=O)N1CC1NC12	5314.9	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #2	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C3=O)N1CC1NC12	5131.6	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #2	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C3=O)N1CC1NC12	7848.0	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #3	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3=O)N1CC1NC12	5170.1	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #3	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3=O)N1CC1NC12	4984.9	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #3	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3=O)N1CC1NC12	8097.1	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #4	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3=O)N1CC1NC12	5224.6	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #4	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3=O)N1CC1NC12	5088.2	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #4	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3=O)N1CC1NC12	8255.0	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #5	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C(C)(C)C	5317.2	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #5	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C(C)(C)C	5051.8	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #5	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C3=O)N1CC1C2N1[Si](C)(C)C(C)(C)C	8184.2	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #6	COC12C(COC(=O)N[Si](C)(C)C(C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C3=O)N1CC1NC12	5390.8	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #6	COC12C(COC(=O)N[Si](C)(C)C(C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C3=O)N1CC1NC12	5176.5	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #6	COC12C(COC(=O)N[Si](C)(C)C(C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C3=O)N1CC1NC12	7563.5	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #7	COC12C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N)C(=O)O)C3=O)N1CC1NC12	5364.5	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #7	COC12C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N)C(=O)O)C3=O)N1CC1NC12	5177.5	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #7	COC12C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CCC(N)C(=O)O)C3=O)N1CC1NC12	7923.6	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #8	COC12C(COC(=O)N[Si](C)(C)C(C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C3=O)N1CC1NC12	5276.2	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #8	COC12C(COC(=O)N[Si](C)(C)C(C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C3=O)N1CC1NC12	5068.6	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #8	COC12C(COC(=O)N[Si](C)(C)C(C)(C)C)C3=C(C(=O)C(C)=C(N(CCSSCCNC(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C3=O)N1CC1NC12	7742.1	Standard polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #9	COC12C(COC(=O)N[Si](C)(C)C(C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C3=O)N1CC1NC12	5287.4	Semi standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #9	COC12C(COC(=O)N[Si](C)(C)C(C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C3=O)N1CC1NC12	5181.7	Standard non polar	33892256
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C,2TBDMS,isomer #9	COC12C(COC(=O)N[Si](C)(C)C(C)(C)C)C3=C(C(=O)C(C)=C(NCCSSCCN(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C3=O)N1CC1NC12	7956.3	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C GC-MS (TBDMS_1_3) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C GC-MS (TBDMS_1_4) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C GC-MS (TBDMS_1_5) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C GC-MS (TBDMS_1_6) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C 10V, Positive-QTOF	splash10-052r-0000090000-29195b7dac04213edd84	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C 20V, Positive-QTOF	splash10-0pb9-0000090000-3e7f3c66729c5941063a	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C 40V, Positive-QTOF	splash10-004i-4911000000-5a15036674ace89d0f27	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C 10V, Negative-QTOF	splash10-000i-0200090000-a155789767de91c3ae83	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C 20V, Negative-QTOF	splash10-00r5-3009000000-4c7f0ceb31459e39991a	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C 40V, Negative-QTOF	splash10-000x-8921040000-97994ea0aef8b9afdfbb	2021-10-12	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

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

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

78169626

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for 7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C (HMDB0253828)

MOL for HMDB0253828 (7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C)

3D MOL for HMDB0253828 (7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C)

3D SDF for HMDB0253828 (7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C)

3D-SDF for HMDB0253828 (7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C)

PDB for HMDB0253828 (7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C)

3D PDB for HMDB0253828 (7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C)

SMILES for HMDB0253828 (7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C)

INCHI for HMDB0253828 (7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C)

Structure for HMDB0253828 (7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C)

3D Structure for HMDB0253828 (7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra