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Showing metabocard for 8-Aminohexylamino cAMP (HMDB0247417)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 00:25:28 UTC
Update Date2021-09-26 22:57:06 UTC
HMDB IDHMDB0247417
Secondary Accession NumbersNone
Metabolite Identification
Common Name8-Aminohexylamino cAMP
Description8-Aminohexylamino cAMP belongs to the class of organic compounds known as 3',5'-cyclic purine nucleotides. These are purine nucleotides in which the oxygen atoms linked to the C3 and C5 carbon atoms of the ribose moiety are both bonded the same phosphorus atom of the phosphate group. Based on a literature review very few articles have been published on 8-Aminohexylamino cAMP. This compound has been identified in human blood as reported by (PMID: 31557052 ). 8-aminohexylamino camp is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 8-Aminohexylamino cAMP is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0247417 (8-Aminohexylamino cAMP)


  Mrv1652309112102252D          

 30 33  0  0  0  0            999 V2000
   -6.2095   -0.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4950   -1.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7806   -0.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0661   -1.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3516   -0.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6371   -1.0227    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9227   -0.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2082   -1.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1220   -1.8432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3150   -2.0147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0975   -1.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4545   -0.6871    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2830    0.1198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4707    0.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3844    1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4225    1.4474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8350    0.7329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6775    2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1254    2.8451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6815    2.6736    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.7103    3.4981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9365    1.8890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4985    2.7884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1851    0.0429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9225   -1.3002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3350   -2.0147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9225   -2.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0975   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3150   -3.4436    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6371   -1.8477    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 15 22  1  0  0  0  0
 20 23  1  0  0  0  0
 14 24  1  0  0  0  0
 11 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 10 28  1  0  0  0  0
 28 29  1  0  0  0  0
  6 30  1  0  0  0  0
M  END
Download

3D MOL for HMDB0247417 (8-Aminohexylamino cAMP)

HMDB0247417
     RDKit          3D
8-Aminohexylamino cAMP
 56 59  0  0  0  0  0  0  0  0999 V2000
    6.2908    1.7210    1.6458 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2365    2.2951    0.7668 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5401    1.2753   -0.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8396    0.1873    0.6884 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2015   -0.7663   -0.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2514   -0.1068   -1.1521 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9962   -0.7882   -2.3493 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0306    0.3151   -0.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2259   -0.8430   -0.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6159   -2.1361   -0.1195 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3148   -2.9574    0.3693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4167   -4.3249    0.5335 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6434   -5.1691    0.1280 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5517   -4.7934    1.0862 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625   -3.9928    1.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4537   -2.6583    1.3090 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3429   -2.1371    0.7627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9819   -0.8496    0.4896 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8479    0.2752    0.7753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0915   -0.1788    1.1827 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9090    0.9059    1.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3780    0.5243    1.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1384    1.6163    0.6924 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2728    3.0572    0.6927 P   0  0  0  0  0  5  0  0  0  0  0  0
   -5.0976    3.5838    2.1118 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1400    4.2129   -0.1772 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7550    2.8944   -0.0764 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5637    1.5261   -0.2297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455    1.1079   -0.4241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1148    0.2988   -1.5702 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0168    1.8492    2.7113 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5457    0.6730    1.3839 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2337    2.2886    1.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7356    3.0173    0.0525 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5348    2.8869    1.3778 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7515    1.8488   -0.6587 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2109    0.8443   -0.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4883   -0.3651    1.3638 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0118    0.6248    1.2835 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0646   -1.0403   -1.0128 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8851   -1.7020    0.1179 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9346   -0.0865   -3.1092 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8089   -1.4485   -2.4927 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2638    1.0068    0.3216 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5045    0.9490   -1.2685 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1608   -5.6749    0.8574 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8612   -5.2540   -0.8842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4357   -4.4717    1.9078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4152    0.8294    1.6178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333    1.6176    1.9373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4317   -0.1682    0.1219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7232   -0.0677    1.8617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5405    4.9845   -0.3525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2433    1.1796   -1.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5084    2.0014   -0.5206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7750   -0.4170   -1.4051 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
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  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  2  0
 24 26  1  0
 24 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 18  9  1  0
 29 19  1  0
 17 11  1  0
 28 21  1  0
  1 31  1  0
  1 32  1  0
  1 33  1  0
  2 34  1  0
  2 35  1  0
  3 36  1  0
  3 37  1  0
  4 38  1  0
  4 39  1  0
  5 40  1  0
  5 41  1  0
  7 42  1  0
  7 43  1  0
  8 44  1  0
  8 45  1  0
 13 46  1  0
 13 47  1  0
 15 48  1  0
 19 49  1  0
 21 50  1  0
 22 51  1  0
 22 52  1  0
 26 53  1  0
 28 54  1  0
 29 55  1  0
 30 56  1  0
M  END
Download

3D SDF for HMDB0247417 (8-Aminohexylamino cAMP)


  Mrv1652309112102252D          

 30 33  0  0  0  0            999 V2000
   -6.2095   -0.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4950   -1.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7806   -0.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0661   -1.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3516   -0.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6371   -1.0227    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9227   -0.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2082   -1.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1220   -1.8432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3150   -2.0147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0975   -1.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4545   -0.6871    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2830    0.1198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4707    0.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3844    1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4225    1.4474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8350    0.7329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6775    2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1254    2.8451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6815    2.6736    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.7103    3.4981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9365    1.8890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4985    2.7884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1851    0.0429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9225   -1.3002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3350   -2.0147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9225   -2.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0975   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3150   -3.4436    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6371   -1.8477    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 15 22  1  0  0  0  0
 20 23  1  0  0  0  0
 14 24  1  0  0  0  0
 11 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 10 28  1  0  0  0  0
 28 29  1  0  0  0  0
  6 30  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0247417

> <DATABASE_NAME>
hmdb

> <SMILES>
CCCCCN(N)CC1=NC2=C(N=CN=C2N)N1C1OC2COP(O)(=O)OC2C1O

> <INCHI_IDENTIFIER>
InChI=1S/C16H26N7O6P/c1-2-3-4-5-22(18)6-10-21-11-14(17)19-8-20-15(11)23(10)16-12(24)13-9(28-16)7-27-30(25,26)29-13/h8-9,12-13,16,24H,2-7,18H2,1H3,(H,25,26)(H2,17,19,20)

> <INCHI_KEY>
MTPSJZOUBIGSHY-UHFFFAOYSA-N

> <FORMULA>
C16H26N7O6P

> <MOLECULAR_WEIGHT>
443.401

> <EXACT_MASS>
443.168218583

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
56

> <JCHEM_AVERAGE_POLARIZABILITY>
43.14414411522262

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-{6-amino-8-[(1-pentylhydrazin-1-yl)methyl]-9H-purin-9-yl}-2,7-dihydroxy-hexahydro-2lambda5-furo[3,2-d][1,3,2]dioxaphosphinin-2-one

> <ALOGPS_LOGP>
-1.13

> <JCHEM_LOGP>
-1.832797181629615

> <ALOGPS_LOGS>
-2.38

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.588130813859014

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8481092542240605

> <JCHEM_PKA_STRONGEST_BASIC>
5.604002726362155

> <JCHEM_POLAR_SURFACE_AREA>
184.10000000000002

> <JCHEM_REFRACTIVITY>
105.82319999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.86e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-{6-amino-8-[(1-pentylhydrazin-1-yl)methyl]purin-9-yl}-2,7-dihydroxy-tetrahydro-4H-2lambda5-furo[3,2-d][1,3,2]dioxaphosphinin-2-one

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0247417 (8-Aminohexylamino cAMP)

HMDB0247417
     RDKit          3D
8-Aminohexylamino cAMP
 56 59  0  0  0  0  0  0  0  0999 V2000
    6.2908    1.7210    1.6458 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2365    2.2951    0.7668 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5401    1.2753   -0.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8396    0.1873    0.6884 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2015   -0.7663   -0.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2514   -0.1068   -1.1521 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9962   -0.7882   -2.3493 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0306    0.3151   -0.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2259   -0.8430   -0.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6159   -2.1361   -0.1195 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3148   -2.9574    0.3693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4167   -4.3249    0.5335 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6434   -5.1691    0.1280 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5517   -4.7934    1.0862 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625   -3.9928    1.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4537   -2.6583    1.3090 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3429   -2.1371    0.7627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9819   -0.8496    0.4896 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8479    0.2752    0.7753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0915   -0.1788    1.1827 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9090    0.9059    1.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3780    0.5243    1.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1384    1.6163    0.6924 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2728    3.0572    0.6927 P   0  0  0  0  0  5  0  0  0  0  0  0
   -5.0976    3.5838    2.1118 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1400    4.2129   -0.1772 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7550    2.8944   -0.0764 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5637    1.5261   -0.2297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455    1.1079   -0.4241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1148    0.2988   -1.5702 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0168    1.8492    2.7113 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5457    0.6730    1.3839 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2337    2.2886    1.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7356    3.0173    0.0525 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5348    2.8869    1.3778 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7515    1.8488   -0.6587 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2109    0.8443   -0.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4883   -0.3651    1.3638 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0118    0.6248    1.2835 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0646   -1.0403   -1.0128 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8851   -1.7020    0.1179 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9346   -0.0865   -3.1092 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8089   -1.4485   -2.4927 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2638    1.0068    0.3216 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5045    0.9490   -1.2685 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1608   -5.6749    0.8574 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8612   -5.2540   -0.8842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4357   -4.4717    1.9078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4152    0.8294    1.6178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333    1.6176    1.9373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4317   -0.1682    0.1219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7232   -0.0677    1.8617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5405    4.9845   -0.3525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2433    1.1796   -1.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5084    2.0014   -0.5206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7750   -0.4170   -1.4051 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
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  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  2  0
 24 26  1  0
 24 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 18  9  1  0
 29 19  1  0
 17 11  1  0
 28 21  1  0
  1 31  1  0
  1 32  1  0
  1 33  1  0
  2 34  1  0
  2 35  1  0
  3 36  1  0
  3 37  1  0
  4 38  1  0
  4 39  1  0
  5 40  1  0
  5 41  1  0
  7 42  1  0
  7 43  1  0
  8 44  1  0
  8 45  1  0
 13 46  1  0
 13 47  1  0
 15 48  1  0
 19 49  1  0
 21 50  1  0
 22 51  1  0
 22 52  1  0
 26 53  1  0
 28 54  1  0
 29 55  1  0
 30 56  1  0
M  END
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PDB for HMDB0247417 (8-Aminohexylamino cAMP)

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     -11.591  -1.139   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -10.257  -1.909   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -8.924  -1.139   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -7.590  -1.909   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -6.256  -1.139   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      -4.923  -1.909   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      -3.589  -1.139   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.255  -1.909   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0      -2.094  -3.441   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      -0.588  -3.761   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.182  -2.427   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0      -0.848  -1.283   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0      -0.528   0.224   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.879   0.850   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.718   2.382   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.789   2.702   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -1.559   1.368   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -1.265   4.166   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -0.234   5.311   0.000  0.00  0.00           O+0
HETATM   20  P   UNK     0       1.272   4.991   0.000  0.00  0.00           P+0
HETATM   21  O   UNK     0       1.326   6.530   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       1.748   3.526   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       2.797   5.205   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       2.212   0.080   0.000  0.00  0.00           O+0
HETATM   25  N   UNK     0       1.722  -2.427   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0       2.492  -3.761   0.000  0.00  0.00           C+0
HETATM   27  N   UNK     0       1.722  -5.094   0.000  0.00  0.00           N+0
HETATM   28  C   UNK     0       0.182  -5.094   0.000  0.00  0.00           C+0
HETATM   29  N   UNK     0      -0.588  -6.428   0.000  0.00  0.00           N+0
HETATM   30  N   UNK     0      -4.923  -3.449   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   30                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   12                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   28                                                  
CONECT   11   10   12   25                                                  
CONECT   12   11    8   13                                                  
CONECT   13   12   14   17                                                  
CONECT   14   13   15   24                                                  
CONECT   15   14   16   22                                                  
CONECT   16   15   17   18                                                  
CONECT   17   16   13                                                       
CONECT   18   16   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   22   23                                             
CONECT   21   20                                                            
CONECT   22   20   15                                                       
CONECT   23   20                                                            
CONECT   24   14                                                            
CONECT   25   11   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   10   29                                                  
CONECT   29   28                                                            
CONECT   30    6                                                            
MASTER        0    0    0    0    0    0    0    0   30    0   66    0
END
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3D PDB for HMDB0247417 (8-Aminohexylamino cAMP)

COMPND    HMDB0247417
HETATM    1  C1  UNL     1       6.291   1.721   1.646  1.00  0.00           C  
HETATM    2  C2  UNL     1       5.236   2.295   0.767  1.00  0.00           C  
HETATM    3  C3  UNL     1       4.540   1.275  -0.095  1.00  0.00           C  
HETATM    4  C4  UNL     1       3.840   0.187   0.688  1.00  0.00           C  
HETATM    5  C5  UNL     1       3.201  -0.766  -0.330  1.00  0.00           C  
HETATM    6  N1  UNL     1       2.251  -0.107  -1.152  1.00  0.00           N  
HETATM    7  N2  UNL     1       1.996  -0.788  -2.349  1.00  0.00           N  
HETATM    8  C6  UNL     1       1.031   0.315  -0.525  1.00  0.00           C  
HETATM    9  C7  UNL     1       0.226  -0.843  -0.055  1.00  0.00           C  
HETATM   10  N3  UNL     1       0.616  -2.136  -0.120  1.00  0.00           N  
HETATM   11  C8  UNL     1      -0.315  -2.957   0.369  1.00  0.00           C  
HETATM   12  C9  UNL     1      -0.417  -4.325   0.533  1.00  0.00           C  
HETATM   13  N4  UNL     1       0.643  -5.169   0.128  1.00  0.00           N  
HETATM   14  N5  UNL     1      -1.552  -4.793   1.086  1.00  0.00           N  
HETATM   15  C10 UNL     1      -2.563  -3.993   1.473  1.00  0.00           C  
HETATM   16  N6  UNL     1      -2.454  -2.658   1.309  1.00  0.00           N  
HETATM   17  C11 UNL     1      -1.343  -2.137   0.763  1.00  0.00           C  
HETATM   18  N7  UNL     1      -0.982  -0.850   0.490  1.00  0.00           N  
HETATM   19  C12 UNL     1      -1.848   0.275   0.775  1.00  0.00           C  
HETATM   20  O1  UNL     1      -3.092  -0.179   1.183  1.00  0.00           O  
HETATM   21  C13 UNL     1      -3.909   0.906   1.112  1.00  0.00           C  
HETATM   22  C14 UNL     1      -5.378   0.524   1.012  1.00  0.00           C  
HETATM   23  O2  UNL     1      -6.138   1.616   0.692  1.00  0.00           O  
HETATM   24  P1  UNL     1      -5.273   3.057   0.693  1.00  0.00           P  
HETATM   25  O3  UNL     1      -5.098   3.584   2.112  1.00  0.00           O  
HETATM   26  O4  UNL     1      -6.140   4.213  -0.177  1.00  0.00           O  
HETATM   27  O5  UNL     1      -3.755   2.894  -0.076  1.00  0.00           O  
HETATM   28  C15 UNL     1      -3.564   1.526  -0.230  1.00  0.00           C  
HETATM   29  C16 UNL     1      -2.146   1.108  -0.424  1.00  0.00           C  
HETATM   30  O6  UNL     1      -2.115   0.299  -1.570  1.00  0.00           O  
HETATM   31  H1  UNL     1       6.017   1.849   2.711  1.00  0.00           H  
HETATM   32  H2  UNL     1       6.546   0.673   1.384  1.00  0.00           H  
HETATM   33  H3  UNL     1       7.234   2.289   1.502  1.00  0.00           H  
HETATM   34  H4  UNL     1       5.736   3.017   0.053  1.00  0.00           H  
HETATM   35  H5  UNL     1       4.535   2.887   1.378  1.00  0.00           H  
HETATM   36  H6  UNL     1       3.752   1.849  -0.659  1.00  0.00           H  
HETATM   37  H7  UNL     1       5.211   0.844  -0.856  1.00  0.00           H  
HETATM   38  H8  UNL     1       4.488  -0.365   1.364  1.00  0.00           H  
HETATM   39  H9  UNL     1       3.012   0.625   1.284  1.00  0.00           H  
HETATM   40  H10 UNL     1       4.065  -1.040  -1.013  1.00  0.00           H  
HETATM   41  H11 UNL     1       2.885  -1.702   0.118  1.00  0.00           H  
HETATM   42  H12 UNL     1       1.935  -0.087  -3.109  1.00  0.00           H  
HETATM   43  H13 UNL     1       2.809  -1.449  -2.493  1.00  0.00           H  
HETATM   44  H14 UNL     1       1.264   1.007   0.322  1.00  0.00           H  
HETATM   45  H15 UNL     1       0.505   0.949  -1.268  1.00  0.00           H  
HETATM   46  H16 UNL     1       1.161  -5.675   0.857  1.00  0.00           H  
HETATM   47  H17 UNL     1       0.861  -5.254  -0.884  1.00  0.00           H  
HETATM   48  H18 UNL     1      -3.436  -4.472   1.908  1.00  0.00           H  
HETATM   49  H19 UNL     1      -1.415   0.829   1.618  1.00  0.00           H  
HETATM   50  H20 UNL     1      -3.733   1.618   1.937  1.00  0.00           H  
HETATM   51  H21 UNL     1      -5.432  -0.168   0.122  1.00  0.00           H  
HETATM   52  H22 UNL     1      -5.723  -0.068   1.862  1.00  0.00           H  
HETATM   53  H23 UNL     1      -5.541   4.984  -0.353  1.00  0.00           H  
HETATM   54  H24 UNL     1      -4.243   1.180  -1.043  1.00  0.00           H  
HETATM   55  H25 UNL     1      -1.508   2.001  -0.521  1.00  0.00           H  
HETATM   56  H26 UNL     1      -2.775  -0.417  -1.405  1.00  0.00           H  
CONECT    1    2   31   32   33
CONECT    2    3   34   35
CONECT    3    4   36   37
CONECT    4    5   38   39
CONECT    5    6   40   41
CONECT    6    7    8
CONECT    7   42   43
CONECT    8    9   44   45
CONECT    9   10   10   18
CONECT   10   11
CONECT   11   12   12   17
CONECT   12   13   14
CONECT   13   46   47
CONECT   14   15   15
CONECT   15   16   48
CONECT   16   17   17
CONECT   17   18
CONECT   18   19
CONECT   19   20   29   49
CONECT   20   21
CONECT   21   22   28   50
CONECT   22   23   51   52
CONECT   23   24
CONECT   24   25   25   26   27
CONECT   26   53
CONECT   27   28
CONECT   28   29   54
CONECT   29   30   55
CONECT   30   56
END
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SMILES for HMDB0247417 (8-Aminohexylamino cAMP)

CCCCCN(N)CC1=NC2=C(N=CN=C2N)N1C1OC2COP(O)(=O)OC2C1O
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INCHI for HMDB0247417 (8-Aminohexylamino cAMP)

InChI=1S/C16H26N7O6P/c1-2-3-4-5-22(18)6-10-21-11-14(17)19-8-20-15(11)23(10)16-12(24)13-9(28-16)7-27-30(25,26)29-13/h8-9,12-13,16,24H,2-7,18H2,1H3,(H,25,26)(H2,17,19,20)
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View in JSmolView NMR AssignmentsView Stereo Labels
SynonymsNot Available
Chemical FormulaC16H26N7O6P
Average Molecular Weight443.401
Monoisotopic Molecular Weight443.168218583
IUPAC Name6-{6-amino-8-[(1-pentylhydrazin-1-yl)methyl]-9H-purin-9-yl}-2,7-dihydroxy-hexahydro-2lambda5-furo[3,2-d][1,3,2]dioxaphosphinin-2-one
Traditional Name6-{6-amino-8-[(1-pentylhydrazin-1-yl)methyl]purin-9-yl}-2,7-dihydroxy-tetrahydro-4H-2lambda5-furo[3,2-d][1,3,2]dioxaphosphinin-2-one
CAS Registry NumberNot Available
SMILES
CCCCCN(N)CC1=NC2=C(N=CN=C2N)N1C1OC2COP(O)(=O)OC2C1O
InChI Identifier
InChI=1S/C16H26N7O6P/c1-2-3-4-5-22(18)6-10-21-11-14(17)19-8-20-15(11)23(10)16-12(24)13-9(28-16)7-27-30(25,26)29-13/h8-9,12-13,16,24H,2-7,18H2,1H3,(H,25,26)(H2,17,19,20)
InChI KeyMTPSJZOUBIGSHY-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 3',5'-cyclic purine nucleotides. These are purine nucleotides in which the oxygen atoms linked to the C3 and C5 carbon atoms of the ribose moiety are both bonded the same phosphorus atom of the phosphate group.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassPurine nucleotides
Sub ClassCyclic purine nucleotides
Direct Parent3',5'-cyclic purine nucleotides
Alternative Parents
Substituents
  • 3',5'-cyclic purine ribonucleotide
  • Pentose phosphate
  • Glycosyl compound
  • N-glycosyl compound
  • 6-aminopurine
  • Monosaccharide phosphate
  • Purine
  • Imidazopyrimidine
  • Aminopyrimidine
  • Organic phosphoric acid derivative
  • N-substituted imidazole
  • Monosaccharide
  • Pyrimidine
  • Imidolactam
  • Heteroaromatic compound
  • Imidazole
  • Oxolane
  • Azole
  • Secondary alcohol
  • Alkylhydrazine
  • Oxacycle
  • Azacycle
  • Organoheterocyclic compound
  • Alcohol
  • Hydrazine derivative
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organic nitrogen compound
  • Amine
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological location
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-1.1ALOGPS
logP-1.8ChemAxon
logS-2.4ALOGPS
pKa (Strongest Acidic)1.85ChemAxon
pKa (Strongest Basic)5.6ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area184.1 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity105.82 m³·mol⁻¹ChemAxon
Polarizability43.14 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+186.64730932474
DeepCCS[M-H]-182.8230932474
DeepCCS[M-2H]-219.09530932474
DeepCCS[M+Na]+195.21230932474
AllCCS[M+H]+199.832859911
AllCCS[M+H-H2O]+197.732859911
AllCCS[M+NH4]+201.632859911
AllCCS[M+Na]+202.232859911
AllCCS[M-H]-194.032859911
AllCCS[M+Na-2H]-194.332859911
AllCCS[M+HCOO]-194.832859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
8-Aminohexylamino cAMPCCCCCN(N)CC1=NC2=C(N=CN=C2N)N1C1OC2COP(O)(=O)OC2C1O3518.2Standard polar33892256
8-Aminohexylamino cAMPCCCCCN(N)CC1=NC2=C(N=CN=C2N)N1C1OC2COP(O)(=O)OC2C1O3564.5Standard non polar33892256
8-Aminohexylamino cAMPCCCCCN(N)CC1=NC2=C(N=CN=C2N)N1C1OC2COP(O)(=O)OC2C1O3676.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
8-Aminohexylamino cAMP,2TMS,isomer #1CCCCCN(N)CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O[Si](C)(C)C3606.4Semi standard non polar33892256
8-Aminohexylamino cAMP,2TMS,isomer #1CCCCCN(N)CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O[Si](C)(C)C3521.8Standard non polar33892256
8-Aminohexylamino cAMP,2TMS,isomer #1CCCCCN(N)CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O[Si](C)(C)C5983.9Standard polar33892256
8-Aminohexylamino cAMP,2TMS,isomer #2CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C)N[Si](C)(C)C3680.0Semi standard non polar33892256
8-Aminohexylamino cAMP,2TMS,isomer #2CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C)N[Si](C)(C)C3581.3Standard non polar33892256
8-Aminohexylamino cAMP,2TMS,isomer #2CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C)N[Si](C)(C)C5902.6Standard polar33892256
8-Aminohexylamino cAMP,2TMS,isomer #3CCCCCN(N)CC1=NC2=C(N[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C3723.9Semi standard non polar33892256
8-Aminohexylamino cAMP,2TMS,isomer #3CCCCCN(N)CC1=NC2=C(N[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C3604.7Standard non polar33892256
8-Aminohexylamino cAMP,2TMS,isomer #3CCCCCN(N)CC1=NC2=C(N[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C5995.1Standard polar33892256
8-Aminohexylamino cAMP,2TMS,isomer #4CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O)N[Si](C)(C)C3679.3Semi standard non polar33892256
8-Aminohexylamino cAMP,2TMS,isomer #4CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O)N[Si](C)(C)C3618.5Standard non polar33892256
8-Aminohexylamino cAMP,2TMS,isomer #4CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O)N[Si](C)(C)C5714.1Standard polar33892256
8-Aminohexylamino cAMP,2TMS,isomer #5CCCCCN(N)CC1=NC2=C(N[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O3704.9Semi standard non polar33892256
8-Aminohexylamino cAMP,2TMS,isomer #5CCCCCN(N)CC1=NC2=C(N[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O3660.9Standard non polar33892256
8-Aminohexylamino cAMP,2TMS,isomer #5CCCCCN(N)CC1=NC2=C(N[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O5814.0Standard polar33892256
8-Aminohexylamino cAMP,2TMS,isomer #6CCCCCN(CC1=NC2=C(N[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O)N[Si](C)(C)C3798.4Semi standard non polar33892256
8-Aminohexylamino cAMP,2TMS,isomer #6CCCCCN(CC1=NC2=C(N[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O)N[Si](C)(C)C3675.6Standard non polar33892256
8-Aminohexylamino cAMP,2TMS,isomer #6CCCCCN(CC1=NC2=C(N[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O)N[Si](C)(C)C5894.7Standard polar33892256
8-Aminohexylamino cAMP,2TMS,isomer #7CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O)N([Si](C)(C)C)[Si](C)(C)C3817.7Semi standard non polar33892256
8-Aminohexylamino cAMP,2TMS,isomer #7CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O)N([Si](C)(C)C)[Si](C)(C)C3744.5Standard non polar33892256
8-Aminohexylamino cAMP,2TMS,isomer #7CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O)N([Si](C)(C)C)[Si](C)(C)C6115.9Standard polar33892256
8-Aminohexylamino cAMP,2TMS,isomer #8CCCCCN(N)CC1=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O3753.5Semi standard non polar33892256
8-Aminohexylamino cAMP,2TMS,isomer #8CCCCCN(N)CC1=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O3772.1Standard non polar33892256
8-Aminohexylamino cAMP,2TMS,isomer #8CCCCCN(N)CC1=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O6003.2Standard polar33892256
8-Aminohexylamino cAMP,3TMS,isomer #1CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O[Si](C)(C)C)N[Si](C)(C)C3631.1Semi standard non polar33892256
8-Aminohexylamino cAMP,3TMS,isomer #1CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O[Si](C)(C)C)N[Si](C)(C)C3554.7Standard non polar33892256
8-Aminohexylamino cAMP,3TMS,isomer #1CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O[Si](C)(C)C)N[Si](C)(C)C5439.0Standard polar33892256
8-Aminohexylamino cAMP,3TMS,isomer #10CCCCCN(CC1=NC2=C(N[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O)N([Si](C)(C)C)[Si](C)(C)C3856.9Semi standard non polar33892256
8-Aminohexylamino cAMP,3TMS,isomer #10CCCCCN(CC1=NC2=C(N[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O)N([Si](C)(C)C)[Si](C)(C)C3785.6Standard non polar33892256
8-Aminohexylamino cAMP,3TMS,isomer #10CCCCCN(CC1=NC2=C(N[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O)N([Si](C)(C)C)[Si](C)(C)C5696.6Standard polar33892256
8-Aminohexylamino cAMP,3TMS,isomer #2CCCCCN(N)CC1=NC2=C(N[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O[Si](C)(C)C3654.3Semi standard non polar33892256
8-Aminohexylamino cAMP,3TMS,isomer #2CCCCCN(N)CC1=NC2=C(N[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O[Si](C)(C)C3572.6Standard non polar33892256
8-Aminohexylamino cAMP,3TMS,isomer #2CCCCCN(N)CC1=NC2=C(N[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O[Si](C)(C)C5538.4Standard polar33892256
8-Aminohexylamino cAMP,3TMS,isomer #3CCCCCN(CC1=NC2=C(N[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C)N[Si](C)(C)C3738.8Semi standard non polar33892256
8-Aminohexylamino cAMP,3TMS,isomer #3CCCCCN(CC1=NC2=C(N[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C)N[Si](C)(C)C3641.1Standard non polar33892256
8-Aminohexylamino cAMP,3TMS,isomer #3CCCCCN(CC1=NC2=C(N[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C)N[Si](C)(C)C5515.0Standard polar33892256
8-Aminohexylamino cAMP,3TMS,isomer #4CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3768.4Semi standard non polar33892256
8-Aminohexylamino cAMP,3TMS,isomer #4CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3694.8Standard non polar33892256
8-Aminohexylamino cAMP,3TMS,isomer #4CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C5775.4Standard polar33892256
8-Aminohexylamino cAMP,3TMS,isomer #5CCCCCN(N)CC1=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C3692.8Semi standard non polar33892256
8-Aminohexylamino cAMP,3TMS,isomer #5CCCCCN(N)CC1=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C3699.3Standard non polar33892256
8-Aminohexylamino cAMP,3TMS,isomer #5CCCCCN(N)CC1=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C5650.6Standard polar33892256
8-Aminohexylamino cAMP,3TMS,isomer #6CCCCCN(CC1=NC2=C(N[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O)N[Si](C)(C)C3730.4Semi standard non polar33892256
8-Aminohexylamino cAMP,3TMS,isomer #6CCCCCN(CC1=NC2=C(N[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O)N[Si](C)(C)C3680.4Standard non polar33892256
8-Aminohexylamino cAMP,3TMS,isomer #6CCCCCN(CC1=NC2=C(N[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O)N[Si](C)(C)C5325.3Standard polar33892256
8-Aminohexylamino cAMP,3TMS,isomer #7CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O)N([Si](C)(C)C)[Si](C)(C)C3755.1Semi standard non polar33892256
8-Aminohexylamino cAMP,3TMS,isomer #7CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O)N([Si](C)(C)C)[Si](C)(C)C3728.0Standard non polar33892256
8-Aminohexylamino cAMP,3TMS,isomer #7CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O)N([Si](C)(C)C)[Si](C)(C)C5594.4Standard polar33892256
8-Aminohexylamino cAMP,3TMS,isomer #8CCCCCN(N)CC1=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O3679.1Semi standard non polar33892256
8-Aminohexylamino cAMP,3TMS,isomer #8CCCCCN(N)CC1=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O3739.0Standard non polar33892256
8-Aminohexylamino cAMP,3TMS,isomer #8CCCCCN(N)CC1=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O5472.2Standard polar33892256
8-Aminohexylamino cAMP,3TMS,isomer #9CCCCCN(CC1=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O)N[Si](C)(C)C3772.4Semi standard non polar33892256
8-Aminohexylamino cAMP,3TMS,isomer #9CCCCCN(CC1=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O)N[Si](C)(C)C3776.5Standard non polar33892256
8-Aminohexylamino cAMP,3TMS,isomer #9CCCCCN(CC1=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O)N[Si](C)(C)C5472.9Standard polar33892256
8-Aminohexylamino cAMP,4TMS,isomer #1CCCCCN(CC1=NC2=C(N[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O[Si](C)(C)C)N[Si](C)(C)C3685.6Semi standard non polar33892256
8-Aminohexylamino cAMP,4TMS,isomer #1CCCCCN(CC1=NC2=C(N[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O[Si](C)(C)C)N[Si](C)(C)C3601.8Standard non polar33892256
8-Aminohexylamino cAMP,4TMS,isomer #1CCCCCN(CC1=NC2=C(N[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O[Si](C)(C)C)N[Si](C)(C)C4995.0Standard polar33892256
8-Aminohexylamino cAMP,4TMS,isomer #2CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3719.4Semi standard non polar33892256
8-Aminohexylamino cAMP,4TMS,isomer #2CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3649.2Standard non polar33892256
8-Aminohexylamino cAMP,4TMS,isomer #2CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C5346.7Standard polar33892256
8-Aminohexylamino cAMP,4TMS,isomer #3CCCCCN(N)CC1=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O[Si](C)(C)C3647.2Semi standard non polar33892256
8-Aminohexylamino cAMP,4TMS,isomer #3CCCCCN(N)CC1=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O[Si](C)(C)C3636.8Standard non polar33892256
8-Aminohexylamino cAMP,4TMS,isomer #3CCCCCN(N)CC1=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O[Si](C)(C)C5179.6Standard polar33892256
8-Aminohexylamino cAMP,4TMS,isomer #4CCCCCN(CC1=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C)N[Si](C)(C)C3729.2Semi standard non polar33892256
8-Aminohexylamino cAMP,4TMS,isomer #4CCCCCN(CC1=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C)N[Si](C)(C)C3724.4Standard non polar33892256
8-Aminohexylamino cAMP,4TMS,isomer #4CCCCCN(CC1=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C)N[Si](C)(C)C5070.8Standard polar33892256
8-Aminohexylamino cAMP,4TMS,isomer #5CCCCCN(CC1=NC2=C(N[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3836.1Semi standard non polar33892256
8-Aminohexylamino cAMP,4TMS,isomer #5CCCCCN(CC1=NC2=C(N[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3734.3Standard non polar33892256
8-Aminohexylamino cAMP,4TMS,isomer #5CCCCCN(CC1=NC2=C(N[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C5338.1Standard polar33892256
8-Aminohexylamino cAMP,4TMS,isomer #6CCCCCN(CC1=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O)N[Si](C)(C)C3728.4Semi standard non polar33892256
8-Aminohexylamino cAMP,4TMS,isomer #6CCCCCN(CC1=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O)N[Si](C)(C)C3751.4Standard non polar33892256
8-Aminohexylamino cAMP,4TMS,isomer #6CCCCCN(CC1=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O)N[Si](C)(C)C4908.6Standard polar33892256
8-Aminohexylamino cAMP,4TMS,isomer #7CCCCCN(CC1=NC2=C(N[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O)N([Si](C)(C)C)[Si](C)(C)C3822.7Semi standard non polar33892256
8-Aminohexylamino cAMP,4TMS,isomer #7CCCCCN(CC1=NC2=C(N[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O)N([Si](C)(C)C)[Si](C)(C)C3768.7Standard non polar33892256
8-Aminohexylamino cAMP,4TMS,isomer #7CCCCCN(CC1=NC2=C(N[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O)N([Si](C)(C)C)[Si](C)(C)C5174.5Standard polar33892256
8-Aminohexylamino cAMP,4TMS,isomer #8CCCCCN(CC1=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O)N([Si](C)(C)C)[Si](C)(C)C3892.6Semi standard non polar33892256
8-Aminohexylamino cAMP,4TMS,isomer #8CCCCCN(CC1=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O)N([Si](C)(C)C)[Si](C)(C)C3871.5Standard non polar33892256
8-Aminohexylamino cAMP,4TMS,isomer #8CCCCCN(CC1=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O)N([Si](C)(C)C)[Si](C)(C)C5262.0Standard polar33892256
8-Aminohexylamino cAMP,5TMS,isomer #1CCCCCN(CC1=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O[Si](C)(C)C)N[Si](C)(C)C3710.5Semi standard non polar33892256
8-Aminohexylamino cAMP,5TMS,isomer #1CCCCCN(CC1=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O[Si](C)(C)C)N[Si](C)(C)C3643.3Standard non polar33892256
8-Aminohexylamino cAMP,5TMS,isomer #1CCCCCN(CC1=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O[Si](C)(C)C)N[Si](C)(C)C4563.6Standard polar33892256
8-Aminohexylamino cAMP,5TMS,isomer #2CCCCCN(CC1=NC2=C(N[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3811.1Semi standard non polar33892256
8-Aminohexylamino cAMP,5TMS,isomer #2CCCCCN(CC1=NC2=C(N[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3679.7Standard non polar33892256
8-Aminohexylamino cAMP,5TMS,isomer #2CCCCCN(CC1=NC2=C(N[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4845.1Standard polar33892256
8-Aminohexylamino cAMP,5TMS,isomer #3CCCCCN(CC1=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3884.1Semi standard non polar33892256
8-Aminohexylamino cAMP,5TMS,isomer #3CCCCCN(CC1=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3795.3Standard non polar33892256
8-Aminohexylamino cAMP,5TMS,isomer #3CCCCCN(CC1=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4864.7Standard polar33892256
8-Aminohexylamino cAMP,5TMS,isomer #4CCCCCN(CC1=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O)N([Si](C)(C)C)[Si](C)(C)C3869.2Semi standard non polar33892256
8-Aminohexylamino cAMP,5TMS,isomer #4CCCCCN(CC1=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O)N([Si](C)(C)C)[Si](C)(C)C3821.7Standard non polar33892256
8-Aminohexylamino cAMP,5TMS,isomer #4CCCCCN(CC1=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O)N([Si](C)(C)C)[Si](C)(C)C4732.5Standard polar33892256
8-Aminohexylamino cAMP,6TMS,isomer #1CCCCCN(CC1=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3882.9Semi standard non polar33892256
8-Aminohexylamino cAMP,6TMS,isomer #1CCCCCN(CC1=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3712.3Standard non polar33892256
8-Aminohexylamino cAMP,6TMS,isomer #1CCCCCN(CC1=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C)OC2C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4437.1Standard polar33892256
8-Aminohexylamino cAMP,2TBDMS,isomer #1CCCCCN(N)CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C(C)(C)C)OC2C1O[Si](C)(C)C(C)(C)C3992.8Semi standard non polar33892256
8-Aminohexylamino cAMP,2TBDMS,isomer #1CCCCCN(N)CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C(C)(C)C)OC2C1O[Si](C)(C)C(C)(C)C3900.4Standard non polar33892256
8-Aminohexylamino cAMP,2TBDMS,isomer #1CCCCCN(N)CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C(C)(C)C)OC2C1O[Si](C)(C)C(C)(C)C6080.1Standard polar33892256
8-Aminohexylamino cAMP,2TBDMS,isomer #2CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C4104.2Semi standard non polar33892256
8-Aminohexylamino cAMP,2TBDMS,isomer #2CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3983.3Standard non polar33892256
8-Aminohexylamino cAMP,2TBDMS,isomer #2CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C5920.1Standard polar33892256
8-Aminohexylamino cAMP,2TBDMS,isomer #3CCCCCN(N)CC1=NC2=C(N[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C(C)(C)C4071.8Semi standard non polar33892256
8-Aminohexylamino cAMP,2TBDMS,isomer #3CCCCCN(N)CC1=NC2=C(N[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C(C)(C)C4023.1Standard non polar33892256
8-Aminohexylamino cAMP,2TBDMS,isomer #3CCCCCN(N)CC1=NC2=C(N[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C(C)(C)C6021.0Standard polar33892256
8-Aminohexylamino cAMP,2TBDMS,isomer #4CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C(C)(C)C)OC2C1O)N[Si](C)(C)C(C)(C)C4057.2Semi standard non polar33892256
8-Aminohexylamino cAMP,2TBDMS,isomer #4CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C(C)(C)C)OC2C1O)N[Si](C)(C)C(C)(C)C3975.6Standard non polar33892256
8-Aminohexylamino cAMP,2TBDMS,isomer #4CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C(C)(C)C)OC2C1O)N[Si](C)(C)C(C)(C)C5785.9Standard polar33892256
8-Aminohexylamino cAMP,2TBDMS,isomer #5CCCCCN(N)CC1=NC2=C(N[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C(C)(C)C)OC2C1O4024.2Semi standard non polar33892256
8-Aminohexylamino cAMP,2TBDMS,isomer #5CCCCCN(N)CC1=NC2=C(N[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C(C)(C)C)OC2C1O4024.7Standard non polar33892256
8-Aminohexylamino cAMP,2TBDMS,isomer #5CCCCCN(N)CC1=NC2=C(N[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C(C)(C)C)OC2C1O5892.3Standard polar33892256
8-Aminohexylamino cAMP,2TBDMS,isomer #6CCCCCN(CC1=NC2=C(N[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O)N[Si](C)(C)C(C)(C)C4170.7Semi standard non polar33892256
8-Aminohexylamino cAMP,2TBDMS,isomer #6CCCCCN(CC1=NC2=C(N[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O)N[Si](C)(C)C(C)(C)C4065.9Standard non polar33892256
8-Aminohexylamino cAMP,2TBDMS,isomer #6CCCCCN(CC1=NC2=C(N[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O)N[Si](C)(C)C(C)(C)C5860.6Standard polar33892256
8-Aminohexylamino cAMP,2TBDMS,isomer #7CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4194.3Semi standard non polar33892256
8-Aminohexylamino cAMP,2TBDMS,isomer #7CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4126.5Standard non polar33892256
8-Aminohexylamino cAMP,2TBDMS,isomer #7CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C6032.3Standard polar33892256
8-Aminohexylamino cAMP,2TBDMS,isomer #8CCCCCN(N)CC1=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O4101.4Semi standard non polar33892256
8-Aminohexylamino cAMP,2TBDMS,isomer #8CCCCCN(N)CC1=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O4156.4Standard non polar33892256
8-Aminohexylamino cAMP,2TBDMS,isomer #8CCCCCN(N)CC1=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O5962.0Standard polar33892256
8-Aminohexylamino cAMP,3TBDMS,isomer #1CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C(C)(C)C)OC2C1O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C4174.6Semi standard non polar33892256
8-Aminohexylamino cAMP,3TBDMS,isomer #1CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C(C)(C)C)OC2C1O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C4083.2Standard non polar33892256
8-Aminohexylamino cAMP,3TBDMS,isomer #1CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C(C)(C)C)OC2C1O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C5553.6Standard polar33892256
8-Aminohexylamino cAMP,3TBDMS,isomer #10CCCCCN(CC1=NC2=C(N[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4386.1Semi standard non polar33892256
8-Aminohexylamino cAMP,3TBDMS,isomer #10CCCCCN(CC1=NC2=C(N[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4338.0Standard non polar33892256
8-Aminohexylamino cAMP,3TBDMS,isomer #10CCCCCN(CC1=NC2=C(N[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5667.0Standard polar33892256
8-Aminohexylamino cAMP,3TBDMS,isomer #2CCCCCN(N)CC1=NC2=C(N[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C(C)(C)C)OC2C1O[Si](C)(C)C(C)(C)C4135.2Semi standard non polar33892256
8-Aminohexylamino cAMP,3TBDMS,isomer #2CCCCCN(N)CC1=NC2=C(N[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C(C)(C)C)OC2C1O[Si](C)(C)C(C)(C)C4113.0Standard non polar33892256
8-Aminohexylamino cAMP,3TBDMS,isomer #2CCCCCN(N)CC1=NC2=C(N[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C(C)(C)C)OC2C1O[Si](C)(C)C(C)(C)C5646.5Standard polar33892256
8-Aminohexylamino cAMP,3TBDMS,isomer #3CCCCCN(CC1=NC2=C(N[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C4271.5Semi standard non polar33892256
8-Aminohexylamino cAMP,3TBDMS,isomer #3CCCCCN(CC1=NC2=C(N[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C4204.4Standard non polar33892256
8-Aminohexylamino cAMP,3TBDMS,isomer #3CCCCCN(CC1=NC2=C(N[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C5552.7Standard polar33892256
8-Aminohexylamino cAMP,3TBDMS,isomer #4CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4329.1Semi standard non polar33892256
8-Aminohexylamino cAMP,3TBDMS,isomer #4CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4236.5Standard non polar33892256
8-Aminohexylamino cAMP,3TBDMS,isomer #4CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5779.7Standard polar33892256
8-Aminohexylamino cAMP,3TBDMS,isomer #5CCCCCN(N)CC1=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C(C)(C)C4212.9Semi standard non polar33892256
8-Aminohexylamino cAMP,3TBDMS,isomer #5CCCCCN(N)CC1=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C(C)(C)C4258.7Standard non polar33892256
8-Aminohexylamino cAMP,3TBDMS,isomer #5CCCCCN(N)CC1=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C(C)(C)C5664.2Standard polar33892256
8-Aminohexylamino cAMP,3TBDMS,isomer #6CCCCCN(CC1=NC2=C(N[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C(C)(C)C)OC2C1O)N[Si](C)(C)C(C)(C)C4225.7Semi standard non polar33892256
8-Aminohexylamino cAMP,3TBDMS,isomer #6CCCCCN(CC1=NC2=C(N[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C(C)(C)C)OC2C1O)N[Si](C)(C)C(C)(C)C4206.5Standard non polar33892256
8-Aminohexylamino cAMP,3TBDMS,isomer #6CCCCCN(CC1=NC2=C(N[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C(C)(C)C)OC2C1O)N[Si](C)(C)C(C)(C)C5435.9Standard polar33892256
8-Aminohexylamino cAMP,3TBDMS,isomer #7CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C(C)(C)C)OC2C1O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4269.6Semi standard non polar33892256
8-Aminohexylamino cAMP,3TBDMS,isomer #7CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C(C)(C)C)OC2C1O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4230.1Standard non polar33892256
8-Aminohexylamino cAMP,3TBDMS,isomer #7CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C(C)(C)C)OC2C1O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5652.3Standard polar33892256
8-Aminohexylamino cAMP,3TBDMS,isomer #8CCCCCN(N)CC1=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C(C)(C)C)OC2C1O4164.4Semi standard non polar33892256
8-Aminohexylamino cAMP,3TBDMS,isomer #8CCCCCN(N)CC1=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C(C)(C)C)OC2C1O4258.2Standard non polar33892256
8-Aminohexylamino cAMP,3TBDMS,isomer #8CCCCCN(N)CC1=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C(C)(C)C)OC2C1O5525.0Standard polar33892256
8-Aminohexylamino cAMP,3TBDMS,isomer #9CCCCCN(CC1=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O)N[Si](C)(C)C(C)(C)C4321.2Semi standard non polar33892256
8-Aminohexylamino cAMP,3TBDMS,isomer #9CCCCCN(CC1=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O)N[Si](C)(C)C(C)(C)C4327.7Standard non polar33892256
8-Aminohexylamino cAMP,3TBDMS,isomer #9CCCCCN(CC1=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O)N[Si](C)(C)C(C)(C)C5450.7Standard polar33892256
8-Aminohexylamino cAMP,4TBDMS,isomer #1CCCCCN(CC1=NC2=C(N[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C(C)(C)C)OC2C1O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C4334.1Semi standard non polar33892256
8-Aminohexylamino cAMP,4TBDMS,isomer #1CCCCCN(CC1=NC2=C(N[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C(C)(C)C)OC2C1O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C4257.9Standard non polar33892256
8-Aminohexylamino cAMP,4TBDMS,isomer #1CCCCCN(CC1=NC2=C(N[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C(C)(C)C)OC2C1O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C5168.6Standard polar33892256
8-Aminohexylamino cAMP,4TBDMS,isomer #2CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C(C)(C)C)OC2C1O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4391.1Semi standard non polar33892256
8-Aminohexylamino cAMP,4TBDMS,isomer #2CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C(C)(C)C)OC2C1O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4272.5Standard non polar33892256
8-Aminohexylamino cAMP,4TBDMS,isomer #2CCCCCN(CC1=NC2=C(N)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C(C)(C)C)OC2C1O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5428.4Standard polar33892256
8-Aminohexylamino cAMP,4TBDMS,isomer #3CCCCCN(N)CC1=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C(C)(C)C)OC2C1O[Si](C)(C)C(C)(C)C4266.3Semi standard non polar33892256
8-Aminohexylamino cAMP,4TBDMS,isomer #3CCCCCN(N)CC1=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C(C)(C)C)OC2C1O[Si](C)(C)C(C)(C)C4291.3Standard non polar33892256
8-Aminohexylamino cAMP,4TBDMS,isomer #3CCCCCN(N)CC1=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C(C)(C)C)OC2C1O[Si](C)(C)C(C)(C)C5246.7Standard polar33892256
8-Aminohexylamino cAMP,4TBDMS,isomer #4CCCCCN(CC1=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C4427.6Semi standard non polar33892256
8-Aminohexylamino cAMP,4TBDMS,isomer #4CCCCCN(CC1=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C4408.2Standard non polar33892256
8-Aminohexylamino cAMP,4TBDMS,isomer #4CCCCCN(CC1=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C5114.2Standard polar33892256
8-Aminohexylamino cAMP,4TBDMS,isomer #5CCCCCN(CC1=NC2=C(N[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4504.5Semi standard non polar33892256
8-Aminohexylamino cAMP,4TBDMS,isomer #5CCCCCN(CC1=NC2=C(N[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4412.2Standard non polar33892256
8-Aminohexylamino cAMP,4TBDMS,isomer #5CCCCCN(CC1=NC2=C(N[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5377.5Standard polar33892256
8-Aminohexylamino cAMP,4TBDMS,isomer #6CCCCCN(CC1=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C(C)(C)C)OC2C1O)N[Si](C)(C)C(C)(C)C4383.2Semi standard non polar33892256
8-Aminohexylamino cAMP,4TBDMS,isomer #6CCCCCN(CC1=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C(C)(C)C)OC2C1O)N[Si](C)(C)C(C)(C)C4416.1Standard non polar33892256
8-Aminohexylamino cAMP,4TBDMS,isomer #6CCCCCN(CC1=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C(C)(C)C)OC2C1O)N[Si](C)(C)C(C)(C)C5012.9Standard polar33892256
8-Aminohexylamino cAMP,4TBDMS,isomer #7CCCCCN(CC1=NC2=C(N[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C(C)(C)C)OC2C1O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4446.9Semi standard non polar33892256
8-Aminohexylamino cAMP,4TBDMS,isomer #7CCCCCN(CC1=NC2=C(N[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C(C)(C)C)OC2C1O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4415.9Standard non polar33892256
8-Aminohexylamino cAMP,4TBDMS,isomer #7CCCCCN(CC1=NC2=C(N[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O[Si](C)(C)C(C)(C)C)OC2C1O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5274.3Standard polar33892256
8-Aminohexylamino cAMP,4TBDMS,isomer #8CCCCCN(CC1=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4551.2Semi standard non polar33892256
8-Aminohexylamino cAMP,4TBDMS,isomer #8CCCCCN(CC1=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4556.9Standard non polar33892256
8-Aminohexylamino cAMP,4TBDMS,isomer #8CCCCCN(CC1=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C2N1C1OC2COP(=O)(O)OC2C1O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5215.8Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 8-Aminohexylamino cAMP GC-MS (Non-derivatized) - 70eV, Positivesplash10-0iki-2912000000-bc84332efbf2f9e4b03b2021-09-24Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 8-Aminohexylamino cAMP GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 8-Aminohexylamino cAMP GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 8-Aminohexylamino cAMP GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 8-Aminohexylamino cAMP GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 8-Aminohexylamino cAMP GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 8-Aminohexylamino cAMP GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 8-Aminohexylamino cAMP GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 8-Aminohexylamino cAMP GC-MS (TBDMS_1_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 8-Aminohexylamino cAMP GC-MS (TBDMS_1_4) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 8-Aminohexylamino cAMP 10V, Positive-QTOFsplash10-0006-0000900000-473d3b7009d888398b992021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 8-Aminohexylamino cAMP 20V, Positive-QTOFsplash10-002f-0004900000-658b49fe7af895a74ddf2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 8-Aminohexylamino cAMP 40V, Positive-QTOFsplash10-0adu-8964100000-af75f59af452c49ff6442021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 8-Aminohexylamino cAMP 10V, Negative-QTOFsplash10-0006-0000900000-24b8f533f2c7a3bb92642021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 8-Aminohexylamino cAMP 20V, Negative-QTOFsplash10-0006-1009800000-c741585e61b5f48fb93e2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 8-Aminohexylamino cAMP 40V, Negative-QTOFsplash10-002f-6409600000-70ebaeeaf114388568932021-10-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID28593021
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound78178326
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]