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Showing metabocard for Cyclic guanosine monophosphate-adenosine monophosphate (HMDB0245558)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-10 22:37:12 UTC
Update Date2021-09-26 22:54:06 UTC
HMDB IDHMDB0245558
Secondary Accession NumbersNone
Metabolite Identification
Common NameCyclic guanosine monophosphate-adenosine monophosphate
Description8-(6-amino-9H-purin-9-yl)-3,9,12,18-tetrahydroxy-17-(6-hydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)-2,4,7,11,13,16-hexaoxa-3λ⁵,12λ⁵-diphosphatricyclo[13.2.1.0⁶,¹⁰]octadecane-3,12-dione belongs to the class of organic compounds known as 2'-hydroxychalcones. These are organic compounds containing chalcone skeleton that carries a hydroxyl group at the 2'-position. Based on a literature review very few articles have been published on 8-(6-amino-9H-purin-9-yl)-3,9,12,18-tetrahydroxy-17-(6-hydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)-2,4,7,11,13,16-hexaoxa-3λ⁵,12λ⁵-diphosphatricyclo[13.2.1.0⁶,¹⁰]octadecane-3,12-dione. This compound has been identified in human blood as reported by (PMID: 31557052 ). Cyclic guanosine monophosphate-adenosine monophosphate is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Cyclic guanosine monophosphate-adenosine monophosphate 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 HMDB0245558 (Cyclic guanosine monophosphate-adenosine monophosphate)


  Mrv1652309112100372D          

 45 51  0  0  0  0            999 V2000
    3.8714    7.1684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
Download

3D MOL for HMDB0245558 (Cyclic guanosine monophosphate-adenosine monophosphate)

HMDB0245558
     RDKit          3D
Cyclic guanosine monophosphate-adenosine monophosphate
 69 75  0  0  0  0  0  0  0  0999 V2000
   -8.0070   -0.5494    0.7546 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
Download

3D SDF for HMDB0245558 (Cyclic guanosine monophosphate-adenosine monophosphate)


  Mrv1652309112100372D          

 45 51  0  0  0  0            999 V2000
    3.8714    7.1684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6561    7.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3526    6.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1776    6.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9435    7.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1717    8.0673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5591    8.3252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3653    8.1501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7810    8.8627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2317    9.4783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4765    9.1461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8112    9.6340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9012   10.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6563   10.7863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3216   10.2984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0768   10.6305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2359   10.9420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4325    6.0643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1415    5.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3569    4.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3569    3.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6264    4.3349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3964    2.8829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9115    2.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3964    1.5480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1810    1.8029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1810    2.6279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8955    3.0404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6100    2.6279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6100    1.8029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8955    1.3904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8955    0.5654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6894    3.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7438    5.2995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9153    6.1064    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.0908    6.1352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6999    6.3614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8005    6.9234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2064    4.8824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0737    6.0725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  5  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
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  2  0  0  0  0
 13 17  1  0  0  0  0
  4 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 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
 23 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 28 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 31 36  1  0  0  0  0
 36 37  1  0  0  0  0
 25 38  1  0  0  0  0
 24 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
  1 42  1  0  0  0  0
 40 43  1  0  0  0  0
 19 44  1  0  0  0  0
  3 45  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0245558

> <DATABASE_NAME>
hmdb

> <SMILES>
NC1=NC2=C(N=CN2C2OC3COP(O)(=O)OC4C(COP(O)(=O)OC2C3O)OC(C4O)N2C=NC3=C2N=CN=C3N)C(=O)N1

> <INCHI_IDENTIFIER>
InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(41-18)2-39-45(36,37)43-13-10(31)6(1-38-44(34,35)42-12)40-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)

> <INCHI_KEY>
XRILCFTWUCUKJR-UHFFFAOYSA-N

> <FORMULA>
C20H24N10O13P2

> <MOLECULAR_WEIGHT>
674.417

> <EXACT_MASS>
674.099954869

> <JCHEM_ACCEPTOR_COUNT>
16

> <JCHEM_ATOM_COUNT>
69

> <JCHEM_AVERAGE_POLARIZABILITY>
57.58599933247223

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
17-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-8-(6-amino-9H-purin-9-yl)-3,9,12,18-tetrahydroxy-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.0^{6,10}]octadecane-3,12-dione

> <ALOGPS_LOGP>
-1.65

> <JCHEM_LOGP>
-5.656936951215268

> <ALOGPS_LOGS>
-2.10

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
2.1212444586278685

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.5225456896880645

> <JCHEM_PKA_STRONGEST_BASIC>
3.9281866265985714

> <JCHEM_POLAR_SURFACE_AREA>
325.35999999999996

> <JCHEM_REFRACTIVITY>
142.00449999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.36e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
17-(2-amino-6-oxo-1H-purin-9-yl)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.0^{6,10}]octadecane-3,12-dione

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0245558 (Cyclic guanosine monophosphate-adenosine monophosphate)

HMDB0245558
     RDKit          3D
Cyclic guanosine monophosphate-adenosine monophosphate
 69 75  0  0  0  0  0  0  0  0999 V2000
   -8.0070   -0.5494    0.7546 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1994    0.5619    0.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8913    0.4278    0.1792 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1323    1.4520   -0.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7221    2.6884   -0.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7363    3.5316   -0.6874 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5981    2.8328   -0.7336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8130    1.5323   -0.4170 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7971    0.5245   -0.3755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1090    0.5514    0.8281 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5879   -0.4674    1.6185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4996   -0.9967    2.4964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2270   -2.3302    2.3366 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3439   -2.6420    1.8059 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.1766   -3.1209    2.9984 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3891   -3.8997    0.6716 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0881   -1.3050    1.1408 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0959   -1.6816    0.2516 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2274   -0.7100   -0.8912 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0253    0.1731   -1.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1391   -0.4451   -0.6090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0287   -1.0367   -1.9069 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.2210   -2.2107   -2.4787 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0967    0.0957   -3.1863 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5052   -1.6126   -1.4693 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2637   -0.8513   -0.6407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2454   -1.4777    0.7534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6174   -2.7045    0.7135 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3401    0.0615   -0.6731 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000   -0.0296    0.6489 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1158    0.2408    0.7652 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0383   -0.3483    1.5362 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2424    0.2272    1.3213 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1014    1.2002    0.4014 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9776    2.0887   -0.1816 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3563    2.1271    0.1360 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4957    2.9498   -1.0870 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1966    2.9772   -1.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3621    2.1058   -0.8659 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7574    1.1952    0.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4483   -1.4934    0.9526 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3720   -1.7668    2.2953 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0825    2.8069   -0.1266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6241    3.9381   -0.2763 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8140    1.7563    0.2255 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9081   -1.0731    1.6411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7461   -0.8510    0.0893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6421    3.2690   -0.9924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0436    0.7897   -1.1662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3625   -0.0043    2.2985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7157   -0.8383    3.5927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5256   -0.4454    2.3404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1534   -3.6145   -0.1033 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0456   -2.7252   -0.0535 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3896   -1.2574   -1.8615 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9691    0.6100   -2.0334 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917    1.0465   -0.3284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2179    0.0992   -3.6143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3227   -0.8847   -1.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2985   -1.6769    1.1111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2898   -3.3762    0.4092 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0886    0.5668    1.3286 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8066   -1.1594    2.2137 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9958    1.3304   -0.0758 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7831    2.9767    0.6035 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8217    3.6734   -2.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2197   -2.0752    0.4094 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8665   -2.5920    2.4718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8441    1.8454    0.3842 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 14 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  2  0
 22 24  1  0
 22 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 19 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 35 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 30 41  1  0
 41 42  1  0
  5 43  1  0
 43 44  2  0
 43 45  1  0
 45  2  1  0
  8  4  1  0
 26  9  1  0
 40 31  1  0
 27 11  1  0
 40 34  1  0
 41 18  1  0
  1 46  1  0
  1 47  1  0
  7 48  1  0
  9 49  1  0
 11 50  1  0
 12 51  1  0
 12 52  1  0
 16 53  1  0
 18 54  1  0
 19 55  1  0
 20 56  1  0
 20 57  1  0
 24 58  1  0
 26 59  1  0
 27 60  1  0
 28 61  1  0
 30 62  1  0
 32 63  1  0
 36 64  1  0
 36 65  1  0
 38 66  1  0
 41 67  1  0
 42 68  1  0
 45 69  1  0
M  END
Download

PDB for HMDB0245558 (Cyclic guanosine monophosphate-adenosine monophosphate)

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0       7.227  13.381   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.691  13.857   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.991  12.785   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      11.531  12.785   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      11.095  14.515   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       9.654  15.059   0.000  0.00  0.00           O+0
HETATM    7  N   UNK     0      12.244  15.540   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0      13.749  15.214   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0      14.524  16.544   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      13.499  17.693   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      12.089  17.073   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0      10.848  17.983   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0      11.015  19.514   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0      12.425  20.134   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0      13.667  19.224   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      15.077  19.844   0.000  0.00  0.00           O+0
HETATM   17  N   UNK     0       9.774  20.425   0.000  0.00  0.00           N+0
HETATM   18  O   UNK     0      12.007  11.320   0.000  0.00  0.00           O+0
HETATM   19  P   UNK     0      10.761  10.415   0.000  0.00  0.00           P+0
HETATM   20  O   UNK     0      12.274  10.125   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      10.340   8.783   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       9.310   8.330   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       7.731   9.338   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       6.266   8.862   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.266   7.322   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       7.731   6.846   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       8.636   8.092   0.000  0.00  0.00           O+0
HETATM   28  N   UNK     0       8.207   5.381   0.000  0.00  0.00           N+0
HETATM   29  C   UNK     0       7.301   4.135   0.000  0.00  0.00           C+0
HETATM   30  N   UNK     0       8.207   2.890   0.000  0.00  0.00           N+0
HETATM   31  C   UNK     0       9.671   3.365   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       9.671   4.905   0.000  0.00  0.00           C+0
HETATM   33  N   UNK     0      11.005   5.675   0.000  0.00  0.00           N+0
HETATM   34  C   UNK     0      12.339   4.905   0.000  0.00  0.00           C+0
HETATM   35  N   UNK     0      12.339   3.365   0.000  0.00  0.00           N+0
HETATM   36  C   UNK     0      11.005   2.595   0.000  0.00  0.00           C+0
HETATM   37  N   UNK     0      11.005   1.055   0.000  0.00  0.00           N+0
HETATM   38  O   UNK     0       5.020   6.417   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       5.122   9.892   0.000  0.00  0.00           O+0
HETATM   40  P   UNK     0       5.442  11.399   0.000  0.00  0.00           P+0
HETATM   41  O   UNK     0       3.903  11.452   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       6.907  11.875   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0       5.228  12.924   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0      11.585   9.114   0.000  0.00  0.00           O+0
HETATM   45  O   UNK     0       9.471  11.335   0.000  0.00  0.00           O+0
CONECT    1    2   42                                                       
CONECT    2    1    3    6                                                  
CONECT    3    2    4   45                                                  
CONECT    4    3    5   18                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5    2                                                       
CONECT    7    5    8   11                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   15                                                  
CONECT   11   10    7   12                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   17                                                  
CONECT   14   13   15                                                       
CONECT   15   14   10   16                                                  
CONECT   16   15                                                            
CONECT   17   13                                                            
CONECT   18    4   19                                                       
CONECT   19   18   20   21   44                                             
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   27                                                  
CONECT   24   23   25   39                                                  
CONECT   25   24   26   38                                                  
CONECT   26   25   27   28                                                  
CONECT   27   26   23                                                       
CONECT   28   26   29   32                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32   36                                                  
CONECT   32   31   28   33                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   31   37                                                  
CONECT   37   36                                                            
CONECT   38   25                                                            
CONECT   39   24   40                                                       
CONECT   40   39   41   42   43                                             
CONECT   41   40                                                            
CONECT   42   40    1                                                       
CONECT   43   40                                                            
CONECT   44   19                                                            
CONECT   45    3                                                            
MASTER        0    0    0    0    0    0    0    0   45    0  102    0
END
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3D PDB for HMDB0245558 (Cyclic guanosine monophosphate-adenosine monophosphate)

COMPND    HMDB0245558
HETATM    1  N1  UNL     1      -8.007  -0.549   0.755  1.00  0.00           N  
HETATM    2  C1  UNL     1      -7.199   0.562   0.376  1.00  0.00           C  
HETATM    3  N2  UNL     1      -5.891   0.428   0.179  1.00  0.00           N  
HETATM    4  C2  UNL     1      -5.132   1.452  -0.172  1.00  0.00           C  
HETATM    5  C3  UNL     1      -5.722   2.688  -0.336  1.00  0.00           C  
HETATM    6  N3  UNL     1      -4.736   3.532  -0.687  1.00  0.00           N  
HETATM    7  C4  UNL     1      -3.598   2.833  -0.734  1.00  0.00           C  
HETATM    8  N4  UNL     1      -3.813   1.532  -0.417  1.00  0.00           N  
HETATM    9  C5  UNL     1      -2.797   0.524  -0.376  1.00  0.00           C  
HETATM   10  O1  UNL     1      -2.109   0.551   0.828  1.00  0.00           O  
HETATM   11  C6  UNL     1      -2.588  -0.467   1.618  1.00  0.00           C  
HETATM   12  C7  UNL     1      -1.500  -0.997   2.496  1.00  0.00           C  
HETATM   13  O2  UNL     1      -1.227  -2.330   2.337  1.00  0.00           O  
HETATM   14  P1  UNL     1       0.344  -2.642   1.806  1.00  0.00           P  
HETATM   15  O3  UNL     1       1.177  -3.121   2.998  1.00  0.00           O  
HETATM   16  O4  UNL     1       0.389  -3.900   0.672  1.00  0.00           O  
HETATM   17  O5  UNL     1       1.088  -1.305   1.141  1.00  0.00           O  
HETATM   18  C8  UNL     1       2.096  -1.682   0.252  1.00  0.00           C  
HETATM   19  C9  UNL     1       2.227  -0.710  -0.891  1.00  0.00           C  
HETATM   20  C10 UNL     1       1.025   0.173  -1.017  1.00  0.00           C  
HETATM   21  O6  UNL     1      -0.139  -0.445  -0.609  1.00  0.00           O  
HETATM   22  P2  UNL     1      -1.029  -1.037  -1.907  1.00  0.00           P  
HETATM   23  O7  UNL     1      -0.221  -2.211  -2.479  1.00  0.00           O  
HETATM   24  O8  UNL     1      -1.097   0.096  -3.186  1.00  0.00           O  
HETATM   25  O9  UNL     1      -2.505  -1.613  -1.469  1.00  0.00           O  
HETATM   26  C11 UNL     1      -3.264  -0.851  -0.641  1.00  0.00           C  
HETATM   27  C12 UNL     1      -3.245  -1.478   0.753  1.00  0.00           C  
HETATM   28  O10 UNL     1      -2.617  -2.704   0.714  1.00  0.00           O  
HETATM   29  O11 UNL     1       3.340   0.061  -0.673  1.00  0.00           O  
HETATM   30  C13 UNL     1       3.700  -0.030   0.649  1.00  0.00           C  
HETATM   31  N5  UNL     1       5.116   0.241   0.765  1.00  0.00           N  
HETATM   32  C14 UNL     1       6.038  -0.348   1.536  1.00  0.00           C  
HETATM   33  N6  UNL     1       7.242   0.227   1.321  1.00  0.00           N  
HETATM   34  C15 UNL     1       7.101   1.200   0.401  1.00  0.00           C  
HETATM   35  C16 UNL     1       7.978   2.089  -0.182  1.00  0.00           C  
HETATM   36  N7  UNL     1       9.356   2.127   0.136  1.00  0.00           N  
HETATM   37  N8  UNL     1       7.496   2.950  -1.087  1.00  0.00           N  
HETATM   38  C17 UNL     1       6.197   2.977  -1.444  1.00  0.00           C  
HETATM   39  N9  UNL     1       5.362   2.106  -0.866  1.00  0.00           N  
HETATM   40  C18 UNL     1       5.757   1.195   0.062  1.00  0.00           C  
HETATM   41  C19 UNL     1       3.448  -1.493   0.953  1.00  0.00           C  
HETATM   42  O12 UNL     1       3.372  -1.767   2.295  1.00  0.00           O  
HETATM   43  C20 UNL     1      -7.083   2.807  -0.127  1.00  0.00           C  
HETATM   44  O13 UNL     1      -7.624   3.938  -0.276  1.00  0.00           O  
HETATM   45  N10 UNL     1      -7.814   1.756   0.226  1.00  0.00           N  
HETATM   46  H1  UNL     1      -7.908  -1.073   1.641  1.00  0.00           H  
HETATM   47  H2  UNL     1      -8.746  -0.851   0.089  1.00  0.00           H  
HETATM   48  H3  UNL     1      -2.642   3.269  -0.992  1.00  0.00           H  
HETATM   49  H4  UNL     1      -2.044   0.790  -1.166  1.00  0.00           H  
HETATM   50  H5  UNL     1      -3.363  -0.004   2.299  1.00  0.00           H  
HETATM   51  H6  UNL     1      -1.716  -0.838   3.593  1.00  0.00           H  
HETATM   52  H7  UNL     1      -0.526  -0.445   2.340  1.00  0.00           H  
HETATM   53  H8  UNL     1      -0.153  -3.614  -0.103  1.00  0.00           H  
HETATM   54  H9  UNL     1       2.046  -2.725  -0.054  1.00  0.00           H  
HETATM   55  H10 UNL     1       2.390  -1.257  -1.862  1.00  0.00           H  
HETATM   56  H11 UNL     1       0.969   0.610  -2.033  1.00  0.00           H  
HETATM   57  H12 UNL     1       1.192   1.046  -0.328  1.00  0.00           H  
HETATM   58  H13 UNL     1      -0.218   0.099  -3.614  1.00  0.00           H  
HETATM   59  H14 UNL     1      -4.323  -0.885  -1.034  1.00  0.00           H  
HETATM   60  H15 UNL     1      -4.299  -1.677   1.111  1.00  0.00           H  
HETATM   61  H16 UNL     1      -3.290  -3.376   0.409  1.00  0.00           H  
HETATM   62  H17 UNL     1       3.089   0.567   1.329  1.00  0.00           H  
HETATM   63  H18 UNL     1       5.807  -1.159   2.214  1.00  0.00           H  
HETATM   64  H19 UNL     1       9.996   1.330  -0.076  1.00  0.00           H  
HETATM   65  H20 UNL     1       9.783   2.977   0.603  1.00  0.00           H  
HETATM   66  H21 UNL     1       5.822   3.673  -2.172  1.00  0.00           H  
HETATM   67  H22 UNL     1       4.220  -2.075   0.409  1.00  0.00           H  
HETATM   68  H23 UNL     1       3.866  -2.592   2.472  1.00  0.00           H  
HETATM   69  H24 UNL     1      -8.844   1.845   0.384  1.00  0.00           H  
CONECT    1    2   46   47
CONECT    2    3    3   45
CONECT    3    4
CONECT    4    5    5    8
CONECT    5    6   43
CONECT    6    7    7
CONECT    7    8   48
CONECT    8    9
CONECT    9   10   26   49
CONECT   10   11
CONECT   11   12   27   50
CONECT   12   13   51   52
CONECT   13   14
CONECT   14   15   15   16   17
CONECT   16   53
CONECT   17   18
CONECT   18   19   41   54
CONECT   19   20   29   55
CONECT   20   21   56   57
CONECT   21   22
CONECT   22   23   23   24   25
CONECT   24   58
CONECT   25   26
CONECT   26   27   59
CONECT   27   28   60
CONECT   28   61
CONECT   29   30
CONECT   30   31   41   62
CONECT   31   32   40
CONECT   32   33   33   63
CONECT   33   34
CONECT   34   35   35   40
CONECT   35   36   37
CONECT   36   64   65
CONECT   37   38   38
CONECT   38   39   66
CONECT   39   40   40
CONECT   41   42   67
CONECT   42   68
CONECT   43   44   44   45
CONECT   45   69
END
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SMILES for HMDB0245558 (Cyclic guanosine monophosphate-adenosine monophosphate)

NC1=NC2=C(N=CN2C2OC3COP(O)(=O)OC4C(COP(O)(=O)OC2C3O)OC(C4O)N2C=NC3=C2N=CN=C3N)C(=O)N1
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INCHI for HMDB0245558 (Cyclic guanosine monophosphate-adenosine monophosphate)

InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(41-18)2-39-45(36,37)43-13-10(31)6(1-38-44(34,35)42-12)40-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
Cyclic guanosine monophosphoric acid-adenosine monophosphoric acidGenerator
Chemical FormulaC20H24N10O13P2
Average Molecular Weight674.417
Monoisotopic Molecular Weight674.099954869
IUPAC Name17-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-8-(6-amino-9H-purin-9-yl)-3,9,12,18-tetrahydroxy-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.0^{6,10}]octadecane-3,12-dione
Traditional Name17-(2-amino-6-oxo-1H-purin-9-yl)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.0^{6,10}]octadecane-3,12-dione
CAS Registry NumberNot Available
SMILES
NC1=NC2=C(N=CN2C2OC3COP(O)(=O)OC4C(COP(O)(=O)OC2C3O)OC(C4O)N2C=NC3=C2N=CN=C3N)C(=O)N1
InChI Identifier
InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(41-18)2-39-45(36,37)43-13-10(31)6(1-38-44(34,35)42-12)40-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)
InChI KeyXRILCFTWUCUKJR-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 2'-hydroxychalcones. These are organic compounds containing chalcone skeleton that carries a hydroxyl group at the 2'-position.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassLinear 1,3-diarylpropanoids
Sub ClassChalcones and dihydrochalcones
Direct Parent2'-Hydroxychalcones
Alternative Parents
Substituents
  • 2'-hydroxychalcone
  • Cinnamylphenol
  • Cinnamic acid or derivatives
  • Methoxyphenol
  • Phenoxy compound
  • O-cresol
  • Phenol ether
  • Resorcinol
  • Styrene
  • Aryl ketone
  • Benzoyl
  • Anisole
  • Methoxybenzene
  • Phenol
  • Alkyl aryl ether
  • Toluene
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Benzenoid
  • Monocyclic benzene moiety
  • Acryloyl-group
  • Vinylogous acid
  • Alpha,beta-unsaturated ketone
  • Enone
  • Ketone
  • Ether
  • Organic oxide
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic 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-1.6ALOGPS
logP-5.7ChemAxon
logS-2.1ALOGPS
pKa (Strongest Acidic)1.52ChemAxon
pKa (Strongest Basic)3.93ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count16ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area325.36 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity142 m³·mol⁻¹ChemAxon
Polarizability57.59 ųChemAxon
Number of Rings7ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+229.25830932474
DeepCCS[M-H]-227.36330932474
DeepCCS[M-2H]-260.60130932474
DeepCCS[M+Na]+235.43430932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Cyclic guanosine monophosphate-adenosine monophosphateNC1=NC2=C(N=CN2C2OC3COP(O)(=O)OC4C(COP(O)(=O)OC2C3O)OC(C4O)N2C=NC3=C2N=CN=C3N)C(=O)N15296.6Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphateNC1=NC2=C(N=CN2C2OC3COP(O)(=O)OC4C(COP(O)(=O)OC2C3O)OC(C4O)N2C=NC3=C2N=CN=C3N)C(=O)N14028.2Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphateNC1=NC2=C(N=CN2C2OC3COP(O)(=O)OC4C(COP(O)(=O)OC2C3O)OC(C4O)N2C=NC3=C2N=CN=C3N)C(=O)N16359.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #1C[Si](C)(C)OC1C2COP(=O)(O[Si](C)(C)C)OC3C(COP(=O)(O)OC1C(N1C=NC4=C1N=C(N)[NH]C4=O)O2)OC(N1C=NC2=C(N)N=CN=C21)C3O[Si](C)(C)C5795.2Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #1C[Si](C)(C)OC1C2COP(=O)(O[Si](C)(C)C)OC3C(COP(=O)(O)OC1C(N1C=NC4=C1N=C(N)[NH]C4=O)O2)OC(N1C=NC2=C(N)N=CN=C21)C3O[Si](C)(C)C5111.2Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #1C[Si](C)(C)OC1C2COP(=O)(O[Si](C)(C)C)OC3C(COP(=O)(O)OC1C(N1C=NC4=C1N=C(N)[NH]C4=O)O2)OC(N1C=NC2=C(N)N=CN=C21)C3O[Si](C)(C)C8940.0Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #10C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O)OC4C(COP(=O)(O[Si](C)(C)C)OC2C3O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C4O)C(=O)[NH]15823.5Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #10C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O)OC4C(COP(=O)(O[Si](C)(C)C)OC2C3O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C4O)C(=O)[NH]15247.8Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #10C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O)OC4C(COP(=O)(O[Si](C)(C)C)OC2C3O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C4O)C(=O)[NH]18864.1Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #11C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC2COP(=O)(O[Si](C)(C)C)OC3C(O[Si](C)(C)C)C(COP(=O)(O)OC2C1O)OC3N1C=NC2=C1N=C(N)[NH]C2=O5824.7Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #11C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC2COP(=O)(O[Si](C)(C)C)OC3C(O[Si](C)(C)C)C(COP(=O)(O)OC2C1O)OC3N1C=NC2=C1N=C(N)[NH]C2=O5217.6Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #11C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC2COP(=O)(O[Si](C)(C)C)OC3C(O[Si](C)(C)C)C(COP(=O)(O)OC2C1O)OC3N1C=NC2=C1N=C(N)[NH]C2=O8747.9Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #12C[Si](C)(C)OC1C2COP(=O)(O)OC3C(COP(=O)(O[Si](C)(C)C)OC1C(N1C=NC4=C1N=C(N)N([Si](C)(C)C)C4=O)O2)OC(N1C=NC2=C(N)N=CN=C21)C3O5800.9Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #12C[Si](C)(C)OC1C2COP(=O)(O)OC3C(COP(=O)(O[Si](C)(C)C)OC1C(N1C=NC4=C1N=C(N)N([Si](C)(C)C)C4=O)O2)OC(N1C=NC2=C(N)N=CN=C21)C3O5238.2Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #12C[Si](C)(C)OC1C2COP(=O)(O)OC3C(COP(=O)(O[Si](C)(C)C)OC1C(N1C=NC4=C1N=C(N)N([Si](C)(C)C)C4=O)O2)OC(N1C=NC2=C(N)N=CN=C21)C3O9170.7Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #13C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O)OC4C(COP(=O)(O)OC2C3O[Si](C)(C)C)OC(N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)C4O)C(=O)[NH]15878.2Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #13C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O)OC4C(COP(=O)(O)OC2C3O[Si](C)(C)C)OC(N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)C4O)C(=O)[NH]15260.8Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #13C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O)OC4C(COP(=O)(O)OC2C3O[Si](C)(C)C)OC(N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)C4O)C(=O)[NH]19094.7Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #14C[Si](C)(C)OC1C2COP(=O)(O)OC3C(COP(=O)(O)OC1C(N1C=NC4=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C4=O)O2)OC(N1C=NC2=C(N)N=CN=C21)C3O5766.1Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #14C[Si](C)(C)OC1C2COP(=O)(O)OC3C(COP(=O)(O)OC1C(N1C=NC4=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C4=O)O2)OC(N1C=NC2=C(N)N=CN=C21)C3O5395.9Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #14C[Si](C)(C)OC1C2COP(=O)(O)OC3C(COP(=O)(O)OC1C(N1C=NC4=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C4=O)O2)OC(N1C=NC2=C(N)N=CN=C21)C3O9179.2Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #15C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O)OC4C(COP(=O)(O)OC2C3O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C4O)C(=O)N1[Si](C)(C)C5897.9Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #15C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O)OC4C(COP(=O)(O)OC2C3O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C4O)C(=O)N1[Si](C)(C)C5267.0Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #15C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O)OC4C(COP(=O)(O)OC2C3O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C4O)C(=O)N1[Si](C)(C)C9224.6Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #16C[Si](C)(C)OC1C2COP(=O)(O)OC3C(COP(=O)(O)OC1C(N1C=NC4=C1N=C(N)[NH]C4=O)O2)OC(N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21)C3O5748.7Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #16C[Si](C)(C)OC1C2COP(=O)(O)OC3C(COP(=O)(O)OC1C(N1C=NC4=C1N=C(N)[NH]C4=O)O2)OC(N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21)C3O5303.8Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #16C[Si](C)(C)OC1C2COP(=O)(O)OC3C(COP(=O)(O)OC1C(N1C=NC4=C1N=C(N)[NH]C4=O)O2)OC(N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21)C3O8987.3Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #17C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC2COP(=O)(O)OC3C(O[Si](C)(C)C)C(COP(=O)(O)OC2C1O)OC3N1C=NC2=C1N=C(N)N([Si](C)(C)C)C2=O5857.6Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #17C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC2COP(=O)(O)OC3C(O[Si](C)(C)C)C(COP(=O)(O)OC2C1O)OC3N1C=NC2=C1N=C(N)N([Si](C)(C)C)C2=O5251.3Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #17C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC2COP(=O)(O)OC3C(O[Si](C)(C)C)C(COP(=O)(O)OC2C1O)OC3N1C=NC2=C1N=C(N)N([Si](C)(C)C)C2=O9266.1Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #18C[Si](C)(C)OC1C2OP(=O)(O[Si](C)(C)C)OCC3OC(N4C=NC5=C4N=C(N)[NH]C5=O)C(OP(=O)(O[Si](C)(C)C)OCC2OC1N1C=NC2=C(N)N=CN=C21)C3O5773.9Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #18C[Si](C)(C)OC1C2OP(=O)(O[Si](C)(C)C)OCC3OC(N4C=NC5=C4N=C(N)[NH]C5=O)C(OP(=O)(O[Si](C)(C)C)OCC2OC1N1C=NC2=C(N)N=CN=C21)C3O5193.8Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #18C[Si](C)(C)OC1C2OP(=O)(O[Si](C)(C)C)OCC3OC(N4C=NC5=C4N=C(N)[NH]C5=O)C(OP(=O)(O[Si](C)(C)C)OCC2OC1N1C=NC2=C(N)N=CN=C21)C3O8773.6Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #19C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O[Si](C)(C)C)OC4C(COP(=O)(O)OC2C3O)OC(N2C=NC3=C(N)N=CN=C32)C4O[Si](C)(C)C)C(=O)[NH]15833.7Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #19C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O[Si](C)(C)C)OC4C(COP(=O)(O)OC2C3O)OC(N2C=NC3=C(N)N=CN=C32)C4O[Si](C)(C)C)C(=O)[NH]15240.0Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #19C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O[Si](C)(C)C)OC4C(COP(=O)(O)OC2C3O)OC(N2C=NC3=C(N)N=CN=C32)C4O[Si](C)(C)C)C(=O)[NH]18887.5Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #2C[Si](C)(C)OC1C2COP(=O)(O)OC3C(COP(=O)(O[Si](C)(C)C)OC1C(N1C=NC4=C1N=C(N)[NH]C4=O)O2)OC(N1C=NC2=C(N)N=CN=C21)C3O[Si](C)(C)C5793.8Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #2C[Si](C)(C)OC1C2COP(=O)(O)OC3C(COP(=O)(O[Si](C)(C)C)OC1C(N1C=NC4=C1N=C(N)[NH]C4=O)O2)OC(N1C=NC2=C(N)N=CN=C21)C3O[Si](C)(C)C5113.0Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #2C[Si](C)(C)OC1C2COP(=O)(O)OC3C(COP(=O)(O[Si](C)(C)C)OC1C(N1C=NC4=C1N=C(N)[NH]C4=O)O2)OC(N1C=NC2=C(N)N=CN=C21)C3O[Si](C)(C)C8943.2Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #20C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC2COP(=O)(O)OC3C(O)C(COP(=O)(O[Si](C)(C)C)OC2C1O[Si](C)(C)C)OC3N1C=NC2=C1N=C(N)[NH]C2=O5834.4Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #20C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC2COP(=O)(O)OC3C(O)C(COP(=O)(O[Si](C)(C)C)OC2C1O[Si](C)(C)C)OC3N1C=NC2=C1N=C(N)[NH]C2=O5212.4Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #20C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC2COP(=O)(O)OC3C(O)C(COP(=O)(O[Si](C)(C)C)OC2C1O[Si](C)(C)C)OC3N1C=NC2=C1N=C(N)[NH]C2=O8772.1Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #21C[Si](C)(C)OC1C2OP(=O)(O[Si](C)(C)C)OCC3OC(N4C=NC5=C4N=C(N)N([Si](C)(C)C)C5=O)C(OP(=O)(O)OCC2OC1N1C=NC2=C(N)N=CN=C21)C3O5814.3Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #21C[Si](C)(C)OC1C2OP(=O)(O[Si](C)(C)C)OCC3OC(N4C=NC5=C4N=C(N)N([Si](C)(C)C)C5=O)C(OP(=O)(O)OCC2OC1N1C=NC2=C(N)N=CN=C21)C3O5231.3Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #21C[Si](C)(C)OC1C2OP(=O)(O[Si](C)(C)C)OCC3OC(N4C=NC5=C4N=C(N)N([Si](C)(C)C)C5=O)C(OP(=O)(O)OCC2OC1N1C=NC2=C(N)N=CN=C21)C3O9191.8Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #22C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O)OC4C(COP(=O)(O[Si](C)(C)C)OC2C3O)OC(N2C=NC3=C(N)N=CN=C32)C4O[Si](C)(C)C)C(=O)[NH]15829.4Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #22C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O)OC4C(COP(=O)(O[Si](C)(C)C)OC2C3O)OC(N2C=NC3=C(N)N=CN=C32)C4O[Si](C)(C)C)C(=O)[NH]15242.8Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #22C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O)OC4C(COP(=O)(O[Si](C)(C)C)OC2C3O)OC(N2C=NC3=C(N)N=CN=C32)C4O[Si](C)(C)C)C(=O)[NH]18888.7Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #23C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC2COP(=O)(O[Si](C)(C)C)OC3C(O)C(COP(=O)(O)OC2C1O[Si](C)(C)C)OC3N1C=NC2=C1N=C(N)[NH]C2=O5830.0Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #23C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC2COP(=O)(O[Si](C)(C)C)OC3C(O)C(COP(=O)(O)OC2C1O[Si](C)(C)C)OC3N1C=NC2=C1N=C(N)[NH]C2=O5214.8Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #23C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC2COP(=O)(O[Si](C)(C)C)OC3C(O)C(COP(=O)(O)OC2C1O[Si](C)(C)C)OC3N1C=NC2=C1N=C(N)[NH]C2=O8773.3Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #24C[Si](C)(C)OC1C2OP(=O)(O)OCC3OC(N4C=NC5=C4N=C(N)N([Si](C)(C)C)C5=O)C(OP(=O)(O[Si](C)(C)C)OCC2OC1N1C=NC2=C(N)N=CN=C21)C3O5817.6Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #24C[Si](C)(C)OC1C2OP(=O)(O)OCC3OC(N4C=NC5=C4N=C(N)N([Si](C)(C)C)C5=O)C(OP(=O)(O[Si](C)(C)C)OCC2OC1N1C=NC2=C(N)N=CN=C21)C3O5235.4Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #24C[Si](C)(C)OC1C2OP(=O)(O)OCC3OC(N4C=NC5=C4N=C(N)N([Si](C)(C)C)C5=O)C(OP(=O)(O[Si](C)(C)C)OCC2OC1N1C=NC2=C(N)N=CN=C21)C3O9192.3Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #25C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O)OC4C(COP(=O)(O)OC2C3O)OC(N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)C4O[Si](C)(C)C)C(=O)[NH]15883.1Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #25C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O)OC4C(COP(=O)(O)OC2C3O)OC(N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)C4O[Si](C)(C)C)C(=O)[NH]15261.2Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #25C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O)OC4C(COP(=O)(O)OC2C3O)OC(N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)C4O[Si](C)(C)C)C(=O)[NH]19119.6Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #26C[Si](C)(C)OC1C2OP(=O)(O)OCC3OC(N4C=NC5=C4N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C5=O)C(OP(=O)(O)OCC2OC1N1C=NC2=C(N)N=CN=C21)C3O5768.1Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #26C[Si](C)(C)OC1C2OP(=O)(O)OCC3OC(N4C=NC5=C4N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C5=O)C(OP(=O)(O)OCC2OC1N1C=NC2=C(N)N=CN=C21)C3O5388.3Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #26C[Si](C)(C)OC1C2OP(=O)(O)OCC3OC(N4C=NC5=C4N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C5=O)C(OP(=O)(O)OCC2OC1N1C=NC2=C(N)N=CN=C21)C3O9202.6Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #27C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O)OC4C(COP(=O)(O)OC2C3O)OC(N2C=NC3=C(N)N=CN=C32)C4O[Si](C)(C)C)C(=O)N1[Si](C)(C)C5902.3Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #27C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O)OC4C(COP(=O)(O)OC2C3O)OC(N2C=NC3=C(N)N=CN=C32)C4O[Si](C)(C)C)C(=O)N1[Si](C)(C)C5267.0Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #27C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O)OC4C(COP(=O)(O)OC2C3O)OC(N2C=NC3=C(N)N=CN=C32)C4O[Si](C)(C)C)C(=O)N1[Si](C)(C)C9247.0Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #28C[Si](C)(C)OC1C2OP(=O)(O)OCC3OC(N4C=NC5=C4N=C(N)[NH]C5=O)C(OP(=O)(O)OCC2OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21)C3O5755.8Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #28C[Si](C)(C)OC1C2OP(=O)(O)OCC3OC(N4C=NC5=C4N=C(N)[NH]C5=O)C(OP(=O)(O)OCC2OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21)C3O5298.0Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #28C[Si](C)(C)OC1C2OP(=O)(O)OCC3OC(N4C=NC5=C4N=C(N)[NH]C5=O)C(OP(=O)(O)OCC2OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21)C3O9012.1Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #29C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC2COP(=O)(O)OC3C(O)C(COP(=O)(O)OC2C1O[Si](C)(C)C)OC3N1C=NC2=C1N=C(N)N([Si](C)(C)C)C2=O5862.9Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #29C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC2COP(=O)(O)OC3C(O)C(COP(=O)(O)OC2C1O[Si](C)(C)C)OC3N1C=NC2=C1N=C(N)N([Si](C)(C)C)C2=O5251.8Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #29C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC2COP(=O)(O)OC3C(O)C(COP(=O)(O)OC2C1O[Si](C)(C)C)OC3N1C=NC2=C1N=C(N)N([Si](C)(C)C)C2=O9288.2Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #3C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O)OC4C(COP(=O)(O)OC2C3O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C4O[Si](C)(C)C)C(=O)[NH]15831.8Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #3C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O)OC4C(COP(=O)(O)OC2C3O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C4O[Si](C)(C)C)C(=O)[NH]15162.2Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #3C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O)OC4C(COP(=O)(O)OC2C3O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C4O[Si](C)(C)C)C(=O)[NH]19115.3Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #30C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O[Si](C)(C)C)OC4C(COP(=O)(O[Si](C)(C)C)OC2C3O)OC(N2C=NC3=C(N)N=CN=C32)C4O)C(=O)[NH]15807.5Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #30C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O[Si](C)(C)C)OC4C(COP(=O)(O[Si](C)(C)C)OC2C3O)OC(N2C=NC3=C(N)N=CN=C32)C4O)C(=O)[NH]15335.2Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #30C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O[Si](C)(C)C)OC4C(COP(=O)(O[Si](C)(C)C)OC2C3O)OC(N2C=NC3=C(N)N=CN=C32)C4O)C(=O)[NH]18669.6Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #31C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC2COP(=O)(O[Si](C)(C)C)OC3C(O)C(COP(=O)(O[Si](C)(C)C)OC2C1O)OC3N1C=NC2=C1N=C(N)[NH]C2=O5802.9Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #31C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC2COP(=O)(O[Si](C)(C)C)OC3C(O)C(COP(=O)(O[Si](C)(C)C)OC2C1O)OC3N1C=NC2=C1N=C(N)[NH]C2=O5307.9Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #31C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC2COP(=O)(O[Si](C)(C)C)OC3C(O)C(COP(=O)(O[Si](C)(C)C)OC2C1O)OC3N1C=NC2=C1N=C(N)[NH]C2=O8558.7Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #32C[Si](C)(C)OP1(=O)OCC2OC(N3C=NC4=C3N=C(N)N([Si](C)(C)C)C4=O)C(OP(=O)(O[Si](C)(C)C)OCC3OC(N4C=NC5=C(N)N=CN=C54)C(O)C3O1)C2O5786.1Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #32C[Si](C)(C)OP1(=O)OCC2OC(N3C=NC4=C3N=C(N)N([Si](C)(C)C)C4=O)C(OP(=O)(O[Si](C)(C)C)OCC3OC(N4C=NC5=C(N)N=CN=C54)C(O)C3O1)C2O5327.0Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #32C[Si](C)(C)OP1(=O)OCC2OC(N3C=NC4=C3N=C(N)N([Si](C)(C)C)C4=O)C(OP(=O)(O[Si](C)(C)C)OCC3OC(N4C=NC5=C(N)N=CN=C54)C(O)C3O1)C2O8996.4Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #33C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O[Si](C)(C)C)OC4C(COP(=O)(O)OC2C3O)OC(N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)C4O)C(=O)[NH]15878.1Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #33C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O[Si](C)(C)C)OC4C(COP(=O)(O)OC2C3O)OC(N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)C4O)C(=O)[NH]15340.6Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #33C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O[Si](C)(C)C)OC4C(COP(=O)(O)OC2C3O)OC(N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)C4O)C(=O)[NH]18824.9Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #34C[Si](C)(C)OP1(=O)OCC2OC(N3C=NC4=C3N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C4=O)C(OP(=O)(O)OCC3OC(N4C=NC5=C(N)N=CN=C54)C(O)C3O1)C2O5773.0Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #34C[Si](C)(C)OP1(=O)OCC2OC(N3C=NC4=C3N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C4=O)C(OP(=O)(O)OCC3OC(N4C=NC5=C(N)N=CN=C54)C(O)C3O1)C2O5485.8Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #34C[Si](C)(C)OP1(=O)OCC2OC(N3C=NC4=C3N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C4=O)C(OP(=O)(O)OCC3OC(N4C=NC5=C(N)N=CN=C54)C(O)C3O1)C2O8944.7Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #35C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O[Si](C)(C)C)OC4C(COP(=O)(O)OC2C3O)OC(N2C=NC3=C(N)N=CN=C32)C4O)C(=O)N1[Si](C)(C)C5899.0Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #35C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O[Si](C)(C)C)OC4C(COP(=O)(O)OC2C3O)OC(N2C=NC3=C(N)N=CN=C32)C4O)C(=O)N1[Si](C)(C)C5345.4Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #35C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O[Si](C)(C)C)OC4C(COP(=O)(O)OC2C3O)OC(N2C=NC3=C(N)N=CN=C32)C4O)C(=O)N1[Si](C)(C)C8989.8Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #36C[Si](C)(C)OP1(=O)OCC2OC(N3C=NC4=C3N=C(N)[NH]C4=O)C(OP(=O)(O)OCC3OC(N4C=NC5=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C54)C(O)C3O1)C2O5761.4Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #36C[Si](C)(C)OP1(=O)OCC2OC(N3C=NC4=C3N=C(N)[NH]C4=O)C(OP(=O)(O)OCC3OC(N4C=NC5=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C54)C(O)C3O1)C2O5393.0Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #36C[Si](C)(C)OP1(=O)OCC2OC(N3C=NC4=C3N=C(N)[NH]C4=O)C(OP(=O)(O)OCC3OC(N4C=NC5=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C54)C(O)C3O1)C2O8750.8Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #37C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC2COP(=O)(O)OC3C(O)C(COP(=O)(O[Si](C)(C)C)OC2C1O)OC3N1C=NC2=C1N=C(N)N([Si](C)(C)C)C2=O5853.3Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #37C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC2COP(=O)(O)OC3C(O)C(COP(=O)(O[Si](C)(C)C)OC2C1O)OC3N1C=NC2=C1N=C(N)N([Si](C)(C)C)C2=O5331.8Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #37C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC2COP(=O)(O)OC3C(O)C(COP(=O)(O[Si](C)(C)C)OC2C1O)OC3N1C=NC2=C1N=C(N)N([Si](C)(C)C)C2=O9039.5Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #38C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O)OC4C(COP(=O)(O[Si](C)(C)C)OC2C3O)OC(N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)C4O)C(=O)[NH]15876.7Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #38C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O)OC4C(COP(=O)(O[Si](C)(C)C)OC2C3O)OC(N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)C4O)C(=O)[NH]15340.3Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #38C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O)OC4C(COP(=O)(O[Si](C)(C)C)OC2C3O)OC(N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)C4O)C(=O)[NH]18818.8Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #39C[Si](C)(C)OP1(=O)OCC2OC(N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)C(O)C2OP(=O)(O)OCC2OC(N3C=NC4=C3N=C(N)[NH]C4=O)C(O1)C2O5758.3Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #39C[Si](C)(C)OP1(=O)OCC2OC(N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)C(O)C2OP(=O)(O)OCC2OC(N3C=NC4=C3N=C(N)[NH]C4=O)C(O1)C2O5394.6Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #39C[Si](C)(C)OP1(=O)OCC2OC(N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)C(O)C2OP(=O)(O)OCC2OC(N3C=NC4=C3N=C(N)[NH]C4=O)C(O1)C2O8745.9Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #4C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC2COP(=O)(O)OC3C(O[Si](C)(C)C)C(COP(=O)(O)OC2C1O[Si](C)(C)C)OC3N1C=NC2=C1N=C(N)[NH]C2=O5834.8Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #4C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC2COP(=O)(O)OC3C(O[Si](C)(C)C)C(COP(=O)(O)OC2C1O[Si](C)(C)C)OC3N1C=NC2=C1N=C(N)[NH]C2=O5134.0Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #4C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC2COP(=O)(O)OC3C(O[Si](C)(C)C)C(COP(=O)(O)OC2C1O[Si](C)(C)C)OC3N1C=NC2=C1N=C(N)[NH]C2=O8998.0Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #40C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC2COP(=O)(O[Si](C)(C)C)OC3C(O)C(COP(=O)(O)OC2C1O)OC3N1C=NC2=C1N=C(N)N([Si](C)(C)C)C2=O5850.1Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #40C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC2COP(=O)(O[Si](C)(C)C)OC3C(O)C(COP(=O)(O)OC2C1O)OC3N1C=NC2=C1N=C(N)N([Si](C)(C)C)C2=O5332.2Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #40C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC2COP(=O)(O[Si](C)(C)C)OC3C(O)C(COP(=O)(O)OC2C1O)OC3N1C=NC2=C1N=C(N)N([Si](C)(C)C)C2=O9035.1Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #41C[Si](C)(C)OP1(=O)OCC2OC(N3C=NC4=C(N)N=CN=C43)C(O)C2OP(=O)(O)OCC2OC(N3C=NC4=C3N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C4=O)C(O1)C2O5769.1Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #41C[Si](C)(C)OP1(=O)OCC2OC(N3C=NC4=C(N)N=CN=C43)C(O)C2OP(=O)(O)OCC2OC(N3C=NC4=C3N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C4=O)C(O1)C2O5486.6Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #41C[Si](C)(C)OP1(=O)OCC2OC(N3C=NC4=C(N)N=CN=C43)C(O)C2OP(=O)(O)OCC2OC(N3C=NC4=C3N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C4=O)C(O1)C2O8940.4Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #42C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O)OC4C(COP(=O)(O[Si](C)(C)C)OC2C3O)OC(N2C=NC3=C(N)N=CN=C32)C4O)C(=O)N1[Si](C)(C)C5895.8Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #42C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O)OC4C(COP(=O)(O[Si](C)(C)C)OC2C3O)OC(N2C=NC3=C(N)N=CN=C32)C4O)C(=O)N1[Si](C)(C)C5345.8Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #42C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O)OC4C(COP(=O)(O[Si](C)(C)C)OC2C3O)OC(N2C=NC3=C(N)N=CN=C32)C4O)C(=O)N1[Si](C)(C)C8985.2Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #43C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC2COP(=O)(O)OC3C(O)C(COP(=O)(O)OC2C1O)OC3N1C=NC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O5861.7Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #43C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC2COP(=O)(O)OC3C(O)C(COP(=O)(O)OC2C1O)OC3N1C=NC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O5481.3Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #43C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC2COP(=O)(O)OC3C(O)C(COP(=O)(O)OC2C1O)OC3N1C=NC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O9200.6Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #44C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O)OC4C(COP(=O)(O)OC2C3O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C4O)C(=O)[NH]15854.0Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #44C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O)OC4C(COP(=O)(O)OC2C3O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C4O)C(=O)[NH]15422.7Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #44C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O)OC4C(COP(=O)(O)OC2C3O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C4O)C(=O)[NH]19132.7Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #45C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC2COP(=O)(O)OC3C(O)C(COP(=O)(O)OC2C1O)OC3N1C=NC2=C1N=C(N[Si](C)(C)C)N([Si](C)(C)C)C2=O5946.7Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #45C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC2COP(=O)(O)OC3C(O)C(COP(=O)(O)OC2C1O)OC3N1C=NC2=C1N=C(N[Si](C)(C)C)N([Si](C)(C)C)C2=O5361.4Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #45C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC2COP(=O)(O)OC3C(O)C(COP(=O)(O)OC2C1O)OC3N1C=NC2=C1N=C(N[Si](C)(C)C)N([Si](C)(C)C)C2=O9234.7Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #46C[Si](C)(C)N(C1=NC2=C(N=CN2C2OC3COP(=O)(O)OC4C(COP(=O)(O)OC2C3O)OC(N2C=NC3=C(N)N=CN=C32)C4O)C(=O)N1[Si](C)(C)C)[Si](C)(C)C5878.2Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #46C[Si](C)(C)N(C1=NC2=C(N=CN2C2OC3COP(=O)(O)OC4C(COP(=O)(O)OC2C3O)OC(N2C=NC3=C(N)N=CN=C32)C4O)C(=O)N1[Si](C)(C)C)[Si](C)(C)C5498.4Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #46C[Si](C)(C)N(C1=NC2=C(N=CN2C2OC3COP(=O)(O)OC4C(COP(=O)(O)OC2C3O)OC(N2C=NC3=C(N)N=CN=C32)C4O)C(=O)N1[Si](C)(C)C)[Si](C)(C)C9325.0Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #47C[Si](C)(C)N(C1=NC=NC2=C1N=CN2C1OC2COP(=O)(O)OC3C(O)C(COP(=O)(O)OC2C1O)OC3N1C=NC2=C1N=C(N)N([Si](C)(C)C)C2=O)[Si](C)(C)C5843.4Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #47C[Si](C)(C)N(C1=NC=NC2=C1N=CN2C1OC2COP(=O)(O)OC3C(O)C(COP(=O)(O)OC2C1O)OC3N1C=NC2=C1N=C(N)N([Si](C)(C)C)C2=O)[Si](C)(C)C5420.8Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #47C[Si](C)(C)N(C1=NC=NC2=C1N=CN2C1OC2COP(=O)(O)OC3C(O)C(COP(=O)(O)OC2C1O)OC3N1C=NC2=C1N=C(N)N([Si](C)(C)C)C2=O)[Si](C)(C)C9288.7Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #5C[Si](C)(C)OC1C2COP(=O)(O)OC3C(COP(=O)(O)OC1C(N1C=NC4=C1N=C(N)N([Si](C)(C)C)C4=O)O2)OC(N1C=NC2=C(N)N=CN=C21)C3O[Si](C)(C)C5823.6Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #5C[Si](C)(C)OC1C2COP(=O)(O)OC3C(COP(=O)(O)OC1C(N1C=NC4=C1N=C(N)N([Si](C)(C)C)C4=O)O2)OC(N1C=NC2=C(N)N=CN=C21)C3O[Si](C)(C)C5159.1Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #5C[Si](C)(C)OC1C2COP(=O)(O)OC3C(COP(=O)(O)OC1C(N1C=NC4=C1N=C(N)N([Si](C)(C)C)C4=O)O2)OC(N1C=NC2=C(N)N=CN=C21)C3O[Si](C)(C)C9393.5Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #6C[Si](C)(C)OC1C2COP(=O)(O[Si](C)(C)C)OC3C(COP(=O)(O[Si](C)(C)C)OC1C(N1C=NC4=C1N=C(N)[NH]C4=O)O2)OC(N1C=NC2=C(N)N=CN=C21)C3O5758.4Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #6C[Si](C)(C)OC1C2COP(=O)(O[Si](C)(C)C)OC3C(COP(=O)(O[Si](C)(C)C)OC1C(N1C=NC4=C1N=C(N)[NH]C4=O)O2)OC(N1C=NC2=C(N)N=CN=C21)C3O5209.0Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #6C[Si](C)(C)OC1C2COP(=O)(O[Si](C)(C)C)OC3C(COP(=O)(O[Si](C)(C)C)OC1C(N1C=NC4=C1N=C(N)[NH]C4=O)O2)OC(N1C=NC2=C(N)N=CN=C21)C3O8753.3Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #7C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O[Si](C)(C)C)OC4C(COP(=O)(O)OC2C3O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C4O)C(=O)[NH]15822.0Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #7C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O[Si](C)(C)C)OC4C(COP(=O)(O)OC2C3O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C4O)C(=O)[NH]15248.7Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #7C[Si](C)(C)NC1=NC2=C(N=CN2C2OC3COP(=O)(O[Si](C)(C)C)OC4C(COP(=O)(O)OC2C3O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C4O)C(=O)[NH]18866.4Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #8C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC2COP(=O)(O)OC3C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OC2C1O)OC3N1C=NC2=C1N=C(N)[NH]C2=O5824.8Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #8C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC2COP(=O)(O)OC3C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OC2C1O)OC3N1C=NC2=C1N=C(N)[NH]C2=O5218.4Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #8C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC2COP(=O)(O)OC3C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OC2C1O)OC3N1C=NC2=C1N=C(N)[NH]C2=O8750.4Standard polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #9C[Si](C)(C)OC1C2COP(=O)(O[Si](C)(C)C)OC3C(COP(=O)(O)OC1C(N1C=NC4=C1N=C(N)N([Si](C)(C)C)C4=O)O2)OC(N1C=NC2=C(N)N=CN=C21)C3O5809.2Semi standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #9C[Si](C)(C)OC1C2COP(=O)(O[Si](C)(C)C)OC3C(COP(=O)(O)OC1C(N1C=NC4=C1N=C(N)N([Si](C)(C)C)C4=O)O2)OC(N1C=NC2=C(N)N=CN=C21)C3O5240.3Standard non polar33892256
Cyclic guanosine monophosphate-adenosine monophosphate,3TMS,isomer #9C[Si](C)(C)OC1C2COP(=O)(O[Si](C)(C)C)OC3C(COP(=O)(O)OC1C(N1C=NC4=C1N=C(N)N([Si](C)(C)C)C4=O)O2)OC(N1C=NC2=C(N)N=CN=C21)C3O9171.3Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Cyclic guanosine monophosphate-adenosine monophosphate GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyclic guanosine monophosphate-adenosine monophosphate GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyclic guanosine monophosphate-adenosine monophosphate GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyclic guanosine monophosphate-adenosine monophosphate GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyclic guanosine monophosphate-adenosine monophosphate GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyclic guanosine monophosphate-adenosine monophosphate GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyclic guanosine monophosphate-adenosine monophosphate GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyclic guanosine monophosphate-adenosine monophosphate GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyclic guanosine monophosphate-adenosine monophosphate GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyclic guanosine monophosphate-adenosine monophosphate GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyclic guanosine monophosphate-adenosine monophosphate GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyclic guanosine monophosphate-adenosine monophosphate GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyclic guanosine monophosphate-adenosine monophosphate GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyclic guanosine monophosphate-adenosine monophosphate GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyclic guanosine monophosphate-adenosine monophosphate GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyclic guanosine monophosphate-adenosine monophosphate GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyclic guanosine monophosphate-adenosine monophosphate GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyclic guanosine monophosphate-adenosine monophosphate GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyclic guanosine monophosphate-adenosine monophosphate GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyclic guanosine monophosphate-adenosine monophosphate GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyclic guanosine monophosphate-adenosine monophosphate GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyclic guanosine monophosphate-adenosine monophosphate GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyclic guanosine monophosphate-adenosine monophosphate GC-MS (TMS_2_16) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyclic guanosine monophosphate-adenosine monophosphate GC-MS (TMS_2_17) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyclic guanosine monophosphate-adenosine monophosphate GC-MS (TMS_2_18) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyclic guanosine monophosphate-adenosine monophosphate 10V, Positive-QTOFsplash10-0udi-0900000000-56866a8431186973ff6a2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyclic guanosine monophosphate-adenosine monophosphate 20V, Positive-QTOFsplash10-000i-0900000000-b30fd7621fdcdb3deb1d2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyclic guanosine monophosphate-adenosine monophosphate 40V, Positive-QTOFsplash10-0f79-0900000000-a1f0568bac2c53fc9b562021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyclic guanosine monophosphate-adenosine monophosphate 10V, Negative-QTOFsplash10-00di-0000009000-e9f70e9a51837a0b9ba22021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyclic guanosine monophosphate-adenosine monophosphate 20V, Negative-QTOFsplash10-00di-0200009000-d8710a544e190c04e9a62021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyclic guanosine monophosphate-adenosine monophosphate 40V, Negative-QTOFsplash10-0pb9-1700039000-8f60e0469073677021d82021-10-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-12Wishart 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 IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound136313972
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 ]