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Showing metabocard for Biotinyl-5'-AMP (HMDB0004220)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesenzymes (1) Show 1 proteinXML
enzymes (1) Show 1 protein
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2006-08-13 14:38:14 UTC
Update Date2021-09-14 14:57:49 UTC
HMDB IDHMDB0004220
Secondary Accession Numbers
  • HMDB0006520
  • HMDB04220
  • HMDB06520
Metabolite Identification
Common NameBiotinyl-5'-AMP
Description5'-biotinyl-AMP (B-AMP) is the active form of biotin in mammals. In human cells, biotin is essential to maintain metabolic homeostasis and as regulator of gene expression. The vitamin biotin plays an essential role in gluconeogenesis, fatty acid synthesis, and carbohydrate metabolism because of its role as cofactor of five carboxylases; pyruvate carboxylase (PC), propionyl-CoA carboxylase (PCC), methylcrotonyl-CoA carboxylase, and two forms of acetyl-CoA carboxylase (ACC-1 and ACC-2). Carboxylase biotinylation is catalyzed by the enzyme holocarboxylase synthetase (HCS) through a reaction that involves the transformation of biotin into B-AMP and its subsequent attachment to a specific lysine residue in the carboxylases. B-AMP is also required to activate a signal transduction cascade that includes a soluble guanylate cyclase (sGC) and cGMP-dependent protein kinase (PKG). The regulatory role of biotin in the biotin cycle seems to be limited to the expression of proteins involved in the transport and utilization of exogenous vitamin while having no effect on biotinidase mRNA levels, enzyme responsible for biotin recycling during carboxylase turnover. Multiple carboxylase deficiency (MCD) is a life-threatening disease characterized by the lack of carboxylase activities because of deficiency of HCS activity. (PMID: 15905112 , 11959985 ).
Structure
Data?1582752302
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0004220 (Biotinyl-5'-AMP)


  Mrv0541 02231219542D          

 38 42  0  0  1  0            999 V2000
   28.1421  -16.6658    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.0926  -20.9871    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   31.9204  -23.3967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.8589  -22.5027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.8558  -24.2976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.7854  -16.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3462  -21.7722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.8390  -20.2021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.3075  -21.2407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.4792  -20.6413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8777  -20.7335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.0930  -17.3262    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.0976  -15.9913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.1479  -24.8492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.1479  -26.1771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.6527  -24.6881    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.9383  -25.9256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.6527  -27.1631    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.8785  -17.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8814  -16.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6583  -17.3281    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   27.6628  -16.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9118  -18.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6104  -16.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   31.3672  -25.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   29.9383  -25.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
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 33 35  2  0  0  0  0
 35 37  1  0  0  0  0
M  END
Download

3D MOL for HMDB0004220 (Biotinyl-5'-AMP)

HMDB0004220
     RDKit          3D
Biotinyl-5'-AMP
 66 70  0  0  0  0  0  0  0  0999 V2000
   -9.5314    1.6288    1.1748 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3567    0.8931    1.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8460    0.7821    2.6394 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7128    0.0819    2.8763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0846   -0.5152    1.8539 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5253   -0.4552    0.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6931    0.2694    0.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.9176   -0.5820   -1.5056 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8848   -1.7664   -0.7295 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0689   -1.6916    0.3676 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7515   -1.7314    0.0123 C   0  0  2  0  0  0  0  0  0  0  0  0
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   -2.1044   -0.2088    1.7839 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3393    1.2462    2.1537 P   0  0  0  0  0  5  0  0  0  0  0  0
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    0.2552    1.3447    1.5732 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6252    1.6682    0.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6075    0.3354   -0.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2543   -0.8360    0.6993 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4137   -0.9342    1.1970 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2881    0.0605    1.2372 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0915   -0.1254    0.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6802   -1.7469   -1.4997 C   0  0  1  0  0  0  0  0  0  0  0  0
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  -10.4132    1.1241    0.9110 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1384   -2.8192   -1.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2367   -2.5761    0.4661 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1332    2.0801   -1.1797 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9984   -0.3230   -0.6636 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4580    0.0039    1.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3357   -0.8560   -0.1608 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6982    0.8035    1.4891 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7602    1.9286    0.8638 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9948    0.6249   -1.6076 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8562   -0.1561   -2.8424 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -1.4436   -1.2783 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0898   -2.4012   -0.8112 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3538    0.7235    2.0169 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4192   -0.8383    0.9759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8829   -1.1059   -1.8923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1242   -3.6809   -1.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0932   -0.1266   -1.8079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7469   -0.9115   -3.6335 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
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  7  8  1  0
  8  9  2  0
  9 10  1  0
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 11 43  1  6
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 35 63  1  1
 36 64  1  0
 37 65  1  6
 38 66  1  0
M  END
Download

3D SDF for HMDB0004220 (Biotinyl-5'-AMP)


  Mrv0541 02231219542D          

 38 42  0  0  1  0            999 V2000
   28.1421  -16.6658    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.0926  -20.9871    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   31.9204  -23.3967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.8589  -22.5027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.8558  -24.2976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.7854  -16.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3462  -21.7722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.8390  -20.2021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.3075  -21.2407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.4792  -20.6413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8777  -20.7335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.0930  -17.3262    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.0976  -15.9913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.1479  -24.8492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.1479  -26.1771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.6527  -24.6881    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.9383  -25.9256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.6527  -27.1631    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.8785  -17.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8814  -16.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6583  -17.3281    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   27.6628  -16.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9118  -18.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6104  -16.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   33.1906  -22.9865    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   33.1892  -23.8115    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.4064  -22.7302    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   32.4041  -24.0651    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   28.9721  -19.0711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1529  -21.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7788  -19.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3672  -25.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6294  -25.5131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3672  -25.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0323  -20.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   29.9383  -25.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
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  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
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  2 11  2  0  0  0  0
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 26  4  1  1  0  0  0
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  6 24  2  0  0  0  0
  7 31  1  0  0  0  0
  8 36  1  0  0  0  0
 10 36  2  0  0  0  0
 12 19  1  0  0  0  0
 12 24  1  0  0  0  0
 13 20  1  0  0  0  0
 13 24  1  0  0  0  0
 29 14  1  6  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 34  2  0  0  0  0
 15 35  1  0  0  0  0
 16 33  1  0  0  0  0
 16 38  2  0  0  0  0
 17 37  2  0  0  0  0
 17 38  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  1  0  0  0
 23 25  1  0  0  0  0
 25 30  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 31  1  6  0  0  0
 30 32  1  0  0  0  0
 32 36  1  0  0  0  0
 33 35  2  0  0  0  0
 35 37  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0004220

> <DATABASE_NAME>
hmdb

> <SMILES>
NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OC(=O)CCCC[C@@H]2SCC3NC(=O)NC23)[C@@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C20H28N7O9PS/c21-17-14-18(23-7-22-17)27(8-24-14)19-16(30)15(29)10(35-19)5-34-37(32,33)36-12(28)4-2-1-3-11-13-9(6-38-11)25-20(31)26-13/h7-11,13,15-16,19,29-30H,1-6H2,(H,32,33)(H2,21,22,23)(H2,25,26,31)/t9?,10-,11+,13?,15-,16-,19-/m1/s1

> <INCHI_KEY>
UTQCSTJVMLODHM-CFYKWCKVSA-N

> <FORMULA>
C20H28N7O9PS

> <MOLECULAR_WEIGHT>
573.517

> <EXACT_MASS>
573.140682731

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
53.923433269903185

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({5-[(4S)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]pentanoyl}oxy)phosphinic acid

> <ALOGPS_LOGP>
-1.24

> <JCHEM_LOGP>
-4.116413751955203

> <ALOGPS_LOGS>
-2.41

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.413157781220377

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.8302692044640101

> <JCHEM_PKA_STRONGEST_BASIC>
4.988470655480461

> <JCHEM_POLAR_SURFACE_AREA>
233.27

> <JCHEM_REFRACTIVITY>
130.62719999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.24e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy({5-[(4S)-2-oxo-hexahydrothieno[3,4-d]imidazolidin-4-yl]pentanoyl}oxy)phosphinic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0004220 (Biotinyl-5'-AMP)

HMDB0004220
     RDKit          3D
Biotinyl-5'-AMP
 66 70  0  0  0  0  0  0  0  0999 V2000
   -9.5314    1.6288    1.1748 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3567    0.8931    1.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8460    0.7821    2.6394 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7128    0.0819    2.8763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0846   -0.5152    1.8539 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5253   -0.4552    0.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6931    0.2694    0.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9099    0.1657   -0.9781 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9176   -0.5820   -1.5056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0709   -0.9614   -0.5477 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8848   -1.7664   -0.7295 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0689   -1.6916    0.3676 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7515   -1.7314    0.0123 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0413   -0.4303    0.4329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1044   -0.2088    1.7839 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3393    1.2462    2.1537 P   0  0  0  0  0  5  0  0  0  0  0  0
   -1.2653    1.3044    3.6829 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2749    2.5379    1.5808 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2552    1.3447    1.5732 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6252    1.6682    0.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2643    1.9221   -0.5599 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0762    1.7282   -0.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6075    0.3354   -0.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0619    0.2063   -0.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8735    1.1024    0.4386 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3350    1.1181    0.2044 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8084    1.6168   -1.4862 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.9801    0.2395   -1.8139 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5167   -0.7680   -0.8217 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7020   -1.5326   -0.4091 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2543   -0.8360    0.6993 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4137   -0.9342    1.1970 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2881    0.0605    1.2372 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0915   -0.1254    0.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6802   -1.7469   -1.4997 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5650   -3.0652   -1.9309 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0542   -1.2188   -1.8541 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.4670   -1.7011   -3.1033 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4132    1.1241    0.9110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5980    2.6637    1.2503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3692    0.0403    3.8855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8851   -0.7987   -2.5661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1384   -2.8192   -1.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2367   -2.5761    0.4661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9779   -0.5816    0.1278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4803    0.3560   -0.1776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6892    3.2773    1.2546 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1332    2.0801   -1.1797 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5519    2.4560    0.5749 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9984   -0.3230   -0.6636 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4580    0.0039    1.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3357   -0.8560   -0.1608 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2102    0.3766   -1.4978 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5338    2.1793    0.3779 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6982    0.8035    1.4891 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7602    1.9286    0.8638 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9948    0.6249   -1.6076 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8562   -0.1561   -2.8424 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -1.4436   -1.2783 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0898   -2.4012   -0.8112 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3538    0.7235    2.0169 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4192   -0.8383    0.9759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8829   -1.1059   -1.8923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1242   -3.6809   -1.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0932   -0.1266   -1.8079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7469   -0.9115   -3.6335 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  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  2  0
 31 33  1  0
 33 34  1  0
 13 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
  7  2  1  0
 37 11  1  0
 10  6  1  0
 34 26  1  0
 34 29  1  0
  1 39  1  0
  1 40  1  0
  4 41  1  0
  9 42  1  0
 11 43  1  6
 13 44  1  1
 14 45  1  0
 14 46  1  0
 18 47  1  0
 22 48  1  0
 22 49  1  0
 23 50  1  0
 23 51  1  0
 24 52  1  0
 24 53  1  0
 25 54  1  0
 25 55  1  0
 26 56  1  1
 28 57  1  0
 28 58  1  0
 29 59  1  0
 30 60  1  0
 33 61  1  0
 34 62  1  0
 35 63  1  1
 36 64  1  0
 37 65  1  6
 38 66  1  0
M  END
Download

PDB for HMDB0004220 (Biotinyl-5'-AMP)

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  S   UNK     0      52.532 -31.109   0.000  0.00  0.00           S+0
HETATM    2  P   UNK     0      58.040 -39.176   0.000  0.00  0.00           P+0
HETATM    3  O   UNK     0      59.585 -43.674   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      63.203 -42.005   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      63.197 -45.356   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      46.266 -31.088   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      58.513 -40.641   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      57.566 -37.711   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      56.574 -39.649   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      55.028 -38.530   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      59.505 -38.703   0.000  0.00  0.00           O+0
HETATM   12  N   UNK     0      48.707 -32.342   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0      48.716 -29.850   0.000  0.00  0.00           N+0
HETATM   14  N   UNK     0      60.009 -46.385   0.000  0.00  0.00           N+0
HETATM   15  N   UNK     0      60.009 -48.864   0.000  0.00  0.00           N+0
HETATM   16  N   UNK     0      57.218 -46.084   0.000  0.00  0.00           N+0
HETATM   17  N   UNK     0      55.885 -48.394   0.000  0.00  0.00           N+0
HETATM   18  N   UNK     0      57.218 -50.704   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0      50.173 -31.871   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      50.179 -30.331   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      51.629 -32.346   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      51.637 -29.867   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      52.102 -33.811   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      47.806 -31.093   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      53.608 -34.134   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      61.956 -42.908   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      61.953 -44.448   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      60.492 -42.430   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      60.488 -44.922   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      54.081 -35.599   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      60.019 -40.964   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      55.587 -35.922   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      58.552 -46.854   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      60.908 -47.624   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      58.552 -48.394   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      56.060 -37.388   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      57.218 -49.164   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      55.885 -46.854   0.000  0.00  0.00           C+0
CONECT    1   21   22                                                       
CONECT    2    7    8    9   11                                             
CONECT    3   28   29                                                       
CONECT    4   26                                                            
CONECT    5   27                                                            
CONECT    6   24                                                            
CONECT    7    2   31                                                       
CONECT    8    2   36                                                       
CONECT    9    2                                                            
CONECT   10   36                                                            
CONECT   11    2                                                            
CONECT   12   19   24                                                       
CONECT   13   20   24                                                       
CONECT   14   29   33   34                                                  
CONECT   15   34   35                                                       
CONECT   16   33   38                                                       
CONECT   17   37   38                                                       
CONECT   18   37                                                            
CONECT   19   12   20   21                                                  
CONECT   20   13   19   22                                                  
CONECT   21    1   19   23                                                  
CONECT   22    1   20                                                       
CONECT   23   21   25                                                       
CONECT   24    6   12   13                                                  
CONECT   25   23   30                                                       
CONECT   26    4   27   28                                                  
CONECT   27    5   26   29                                                  
CONECT   28    3   26   31                                                  
CONECT   29    3   14   27                                                  
CONECT   30   25   32                                                       
CONECT   31    7   28                                                       
CONECT   32   30   36                                                       
CONECT   33   14   16   35                                                  
CONECT   34   14   15                                                       
CONECT   35   15   33   37                                                  
CONECT   36    8   10   32                                                  
CONECT   37   17   18   35                                                  
CONECT   38   16   17                                                       
MASTER        0    0    0    0    0    0    0    0   38    0   84    0
END
Download

3D PDB for HMDB0004220 (Biotinyl-5'-AMP)

COMPND    HMDB0004220
HETATM    1  N1  UNL     1      -9.531   1.629   1.175  1.00  0.00           N  
HETATM    2  C1  UNL     1      -8.357   0.893   1.405  1.00  0.00           C  
HETATM    3  N2  UNL     1      -7.846   0.782   2.639  1.00  0.00           N  
HETATM    4  C2  UNL     1      -6.713   0.082   2.876  1.00  0.00           C  
HETATM    5  N3  UNL     1      -6.085  -0.515   1.854  1.00  0.00           N  
HETATM    6  C3  UNL     1      -6.525  -0.455   0.590  1.00  0.00           C  
HETATM    7  C4  UNL     1      -7.693   0.269   0.365  1.00  0.00           C  
HETATM    8  N4  UNL     1      -7.910   0.166  -0.978  1.00  0.00           N  
HETATM    9  C5  UNL     1      -6.918  -0.582  -1.506  1.00  0.00           C  
HETATM   10  N5  UNL     1      -6.071  -0.961  -0.548  1.00  0.00           N  
HETATM   11  C6  UNL     1      -4.885  -1.766  -0.730  1.00  0.00           C  
HETATM   12  O1  UNL     1      -4.069  -1.692   0.368  1.00  0.00           O  
HETATM   13  C7  UNL     1      -2.751  -1.731   0.012  1.00  0.00           C  
HETATM   14  C8  UNL     1      -2.041  -0.430   0.433  1.00  0.00           C  
HETATM   15  O2  UNL     1      -2.104  -0.209   1.784  1.00  0.00           O  
HETATM   16  P1  UNL     1      -1.339   1.246   2.154  1.00  0.00           P  
HETATM   17  O3  UNL     1      -1.265   1.304   3.683  1.00  0.00           O  
HETATM   18  O4  UNL     1      -2.275   2.538   1.581  1.00  0.00           O  
HETATM   19  O5  UNL     1       0.255   1.345   1.573  1.00  0.00           O  
HETATM   20  C9  UNL     1       0.625   1.668   0.296  1.00  0.00           C  
HETATM   21  O6  UNL     1      -0.264   1.922  -0.560  1.00  0.00           O  
HETATM   22  C10 UNL     1       2.076   1.728  -0.122  1.00  0.00           C  
HETATM   23  C11 UNL     1       2.607   0.335  -0.023  1.00  0.00           C  
HETATM   24  C12 UNL     1       4.062   0.206  -0.432  1.00  0.00           C  
HETATM   25  C13 UNL     1       4.874   1.102   0.439  1.00  0.00           C  
HETATM   26  C14 UNL     1       6.335   1.118   0.204  1.00  0.00           C  
HETATM   27  S1  UNL     1       6.808   1.617  -1.486  1.00  0.00           S  
HETATM   28  C15 UNL     1       7.980   0.240  -1.814  1.00  0.00           C  
HETATM   29  C16 UNL     1       7.517  -0.768  -0.822  1.00  0.00           C  
HETATM   30  N6  UNL     1       8.702  -1.533  -0.409  1.00  0.00           N  
HETATM   31  C17 UNL     1       9.254  -0.836   0.699  1.00  0.00           C  
HETATM   32  O7  UNL     1      10.414  -0.934   1.197  1.00  0.00           O  
HETATM   33  N7  UNL     1       8.288   0.060   1.237  1.00  0.00           N  
HETATM   34  C18 UNL     1       7.091  -0.125   0.440  1.00  0.00           C  
HETATM   35  C19 UNL     1      -2.680  -1.747  -1.500  1.00  0.00           C  
HETATM   36  O8  UNL     1      -2.565  -3.065  -1.931  1.00  0.00           O  
HETATM   37  C20 UNL     1      -4.054  -1.219  -1.854  1.00  0.00           C  
HETATM   38  O9  UNL     1      -4.467  -1.701  -3.103  1.00  0.00           O  
HETATM   39  H1  UNL     1     -10.413   1.124   0.911  1.00  0.00           H  
HETATM   40  H2  UNL     1      -9.598   2.664   1.250  1.00  0.00           H  
HETATM   41  H3  UNL     1      -6.369   0.040   3.885  1.00  0.00           H  
HETATM   42  H4  UNL     1      -6.885  -0.799  -2.566  1.00  0.00           H  
HETATM   43  H5  UNL     1      -5.138  -2.819  -1.008  1.00  0.00           H  
HETATM   44  H6  UNL     1      -2.237  -2.576   0.466  1.00  0.00           H  
HETATM   45  H7  UNL     1      -0.978  -0.582   0.128  1.00  0.00           H  
HETATM   46  H8  UNL     1      -2.480   0.356  -0.178  1.00  0.00           H  
HETATM   47  H9  UNL     1      -1.689   3.277   1.255  1.00  0.00           H  
HETATM   48  H10 UNL     1       2.133   2.080  -1.180  1.00  0.00           H  
HETATM   49  H11 UNL     1       2.552   2.456   0.575  1.00  0.00           H  
HETATM   50  H12 UNL     1       1.998  -0.323  -0.664  1.00  0.00           H  
HETATM   51  H13 UNL     1       2.458   0.004   1.027  1.00  0.00           H  
HETATM   52  H14 UNL     1       4.336  -0.856  -0.161  1.00  0.00           H  
HETATM   53  H15 UNL     1       4.210   0.377  -1.498  1.00  0.00           H  
HETATM   54  H16 UNL     1       4.534   2.179   0.378  1.00  0.00           H  
HETATM   55  H17 UNL     1       4.698   0.803   1.489  1.00  0.00           H  
HETATM   56  H18 UNL     1       6.760   1.929   0.864  1.00  0.00           H  
HETATM   57  H19 UNL     1       8.995   0.625  -1.608  1.00  0.00           H  
HETATM   58  H20 UNL     1       7.856  -0.156  -2.842  1.00  0.00           H  
HETATM   59  H21 UNL     1       6.762  -1.444  -1.278  1.00  0.00           H  
HETATM   60  H22 UNL     1       9.090  -2.401  -0.811  1.00  0.00           H  
HETATM   61  H23 UNL     1       8.354   0.724   2.017  1.00  0.00           H  
HETATM   62  H24 UNL     1       6.419  -0.838   0.976  1.00  0.00           H  
HETATM   63  H25 UNL     1      -1.883  -1.106  -1.892  1.00  0.00           H  
HETATM   64  H26 UNL     1      -3.124  -3.681  -1.413  1.00  0.00           H  
HETATM   65  H27 UNL     1      -4.093  -0.127  -1.808  1.00  0.00           H  
HETATM   66  H28 UNL     1      -4.747  -0.911  -3.633  1.00  0.00           H  
CONECT    1    2   39   40
CONECT    2    3    3    7
CONECT    3    4
CONECT    4    5    5   41
CONECT    5    6
CONECT    6    7    7   10
CONECT    7    8
CONECT    8    9    9
CONECT    9   10   42
CONECT   10   11
CONECT   11   12   37   43
CONECT   12   13
CONECT   13   14   35   44
CONECT   14   15   45   46
CONECT   15   16
CONECT   16   17   17   18   19
CONECT   18   47
CONECT   19   20
CONECT   20   21   21   22
CONECT   22   23   48   49
CONECT   23   24   50   51
CONECT   24   25   52   53
CONECT   25   26   54   55
CONECT   26   27   34   56
CONECT   27   28
CONECT   28   29   57   58
CONECT   29   30   34   59
CONECT   30   31   60
CONECT   31   32   32   33
CONECT   33   34   61
CONECT   34   62
CONECT   35   36   37   63
CONECT   36   64
CONECT   37   38   65
CONECT   38   66
END
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SMILES for HMDB0004220 (Biotinyl-5'-AMP)

NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OC(=O)CCCC[C@@H]2SCC3NC(=O)NC23)[C@@H](O)[C@H]1O
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INCHI for HMDB0004220 (Biotinyl-5'-AMP)

InChI=1S/C20H28N7O9PS/c21-17-14-18(23-7-22-17)27(8-24-14)19-16(30)15(29)10(35-19)5-34-37(32,33)36-12(28)4-2-1-3-11-13-9(6-38-11)25-20(31)26-13/h7-11,13,15-16,19,29-30H,1-6H2,(H,32,33)(H2,21,22,23)(H2,25,26,31)/t9?,10-,11+,13?,15-,16-,19-/m1/s1
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
(+)-Biotinyl 5'-adenylateHMDB
5'-Adenylic acid anhydride with biotinHMDB
5'-Adenylic acid monoanhydride with biotinHMDB
b-AMPHMDB
beta-AMPHMDB
Bio-5-AMPHMDB
Biotin anhydride with 5'-adenylic acidHMDB
Biotinoyl 5'-adenylateHMDB
Biotinyl 5'-AMPHMDB
[3AS-(3aa,4b,6aa)]-5'-adenylic acid monoanhydride with hexahydro-2-oxo-1H-thieno[3,4-D]imidazole-4-pentanoateHMDB
[3AS-(3aa,4b,6aa)]-5'-adenylic acid monoanhydride with hexahydro-2-oxo-1H-thieno[3,4-D]imidazole-4-pentanoic acidHMDB
Chemical FormulaC20H28N7O9PS
Average Molecular Weight573.517
Monoisotopic Molecular Weight573.140682731
IUPAC Name{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({5-[(4S)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]pentanoyl}oxy)phosphinic acid
Traditional Name[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy({5-[(4S)-2-oxo-hexahydrothieno[3,4-d]imidazolidin-4-yl]pentanoyl}oxy)phosphinic acid
CAS Registry Number4130-20-5
SMILES
NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OC(=O)CCCC[C@@H]2SCC3NC(=O)NC23)[C@@H](O)[C@H]1O
InChI Identifier
InChI=1S/C20H28N7O9PS/c21-17-14-18(23-7-22-17)27(8-24-14)19-16(30)15(29)10(35-19)5-34-37(32,33)36-12(28)4-2-1-3-11-13-9(6-38-11)25-20(31)26-13/h7-11,13,15-16,19,29-30H,1-6H2,(H,32,33)(H2,21,22,23)(H2,25,26,31)/t9?,10-,11+,13?,15-,16-,19-/m1/s1
InChI KeyUTQCSTJVMLODHM-CFYKWCKVSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 5'-acylphosphoadenosines. These are ribonucleoside derivatives containing an adenoside moiety, where the phosphate group is acylated.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassPurine nucleotides
Sub ClassPurine ribonucleotides
Direct Parent5'-acylphosphoadenosines
Alternative Parents
Substituents
  • 5'-acylphosphoadenosine
  • Biotin_derivative
  • Biotin
  • Pentose phosphate
  • Pentose-5-phosphate
  • Glycosyl compound
  • N-glycosyl compound
  • 6-aminopurine
  • Monosaccharide phosphate
  • Pentose monosaccharide
  • Imidazopyrimidine
  • Purine
  • Thienoimidazolidine
  • Acyl phosphate
  • Aminopyrimidine
  • Monoalkyl phosphate
  • Imidazolidinone
  • Imidolactam
  • Monosaccharide
  • N-substituted imidazole
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Alkyl phosphate
  • Pyrimidine
  • Thiophene
  • Thiolane
  • Tetrahydrofuran
  • Azole
  • Imidazole
  • Imidazolidine
  • Heteroaromatic compound
  • Amino acid or derivatives
  • Carbonic acid derivative
  • Urea
  • Secondary alcohol
  • 1,2-diol
  • Carboxylic acid salt
  • Dialkylthioether
  • Oxacycle
  • Azacycle
  • Monocarboxylic acid or derivatives
  • Carboxylic acid derivative
  • Thioether
  • Organoheterocyclic compound
  • Primary amine
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxygen compound
  • Organic nitrogen compound
  • Organic salt
  • Organonitrogen compound
  • Organooxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Alcohol
  • Amine
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Source
Process
Naturally occurring process
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility2.24 g/LALOGPS
logP-1.2ALOGPS
logP-4.1ChemAxon
logS-2.4ALOGPS
pKa (Strongest Acidic)0.83ChemAxon
pKa (Strongest Basic)4.99ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area233.27 ŲChemAxon
Rotatable Bond Count11ChemAxon
Refractivity130.63 m³·mol⁻¹ChemAxon
Polarizability53.92 ųChemAxon
Number of Rings5ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+231.05831661259
DarkChem[M-H]-218.43231661259
DeepCCS[M-2H]-206.44730932474
DeepCCS[M+Na]+181.43130932474
AllCCS[M+H]+222.632859911
AllCCS[M+H-H2O]+221.432859911
AllCCS[M+NH4]+223.732859911
AllCCS[M+Na]+224.032859911
AllCCS[M-H]-212.132859911
AllCCS[M+Na-2H]-213.632859911
AllCCS[M+HCOO]-215.332859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Biotinyl-5'-AMPNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OC(=O)CCCC[C@@H]2SCC3NC(=O)NC23)[C@@H](O)[C@H]1O5626.3Standard polar33892256
Biotinyl-5'-AMPNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OC(=O)CCCC[C@@H]2SCC3NC(=O)NC23)[C@@H](O)[C@H]1O3727.5Standard non polar33892256
Biotinyl-5'-AMPNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OC(=O)CCCC[C@@H]2SCC3NC(=O)NC23)[C@@H](O)[C@H]1O5348.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Biotinyl-5'-AMP,1TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O5139.5Semi standard non polar33892256
Biotinyl-5'-AMP,1TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)O[C@H]1N1C=NC2=C(N)N=CN=C215136.3Semi standard non polar33892256
Biotinyl-5'-AMP,1TMS,isomer #3C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)OC(=O)CCCC[C@@H]1SCC2NC(=O)NC215150.9Semi standard non polar33892256
Biotinyl-5'-AMP,1TMS,isomer #4C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)[C@@H](O)[C@H]1O5157.7Semi standard non polar33892256
Biotinyl-5'-AMP,1TMS,isomer #5C[Si](C)(C)N1C(=O)NC2C1CS[C@H]2CCCCC(=O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O5065.4Semi standard non polar33892256
Biotinyl-5'-AMP,1TMS,isomer #6C[Si](C)(C)N1C(=O)NC2CS[C@@H](CCCCC(=O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)C215031.9Semi standard non polar33892256
Biotinyl-5'-AMP,2TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C5054.2Semi standard non polar33892256
Biotinyl-5'-AMP,2TMS,isomer #10C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)O[Si](C)(C)C)[C@@H](O)[C@H]1O5105.2Semi standard non polar33892256
Biotinyl-5'-AMP,2TMS,isomer #11C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)OC(=O)CCCC[C@@H]1SCC2C1NC(=O)N2[Si](C)(C)C4966.9Semi standard non polar33892256
Biotinyl-5'-AMP,2TMS,isomer #12C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)OC(=O)CCCC[C@@H]1SCC2NC(=O)N([Si](C)(C)C)C214930.5Semi standard non polar33892256
Biotinyl-5'-AMP,2TMS,isomer #13C[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)[C@@H](O)[C@H]1O)[Si](C)(C)C5066.9Semi standard non polar33892256
Biotinyl-5'-AMP,2TMS,isomer #14C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C)[C@@H](O)[C@H]1O5023.1Semi standard non polar33892256
Biotinyl-5'-AMP,2TMS,isomer #15C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C)C32)[C@@H](O)[C@H]1O4985.3Semi standard non polar33892256
Biotinyl-5'-AMP,2TMS,isomer #16C[Si](C)(C)N1C(=O)N([Si](C)(C)C)C2C1CS[C@H]2CCCCC(=O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O4744.9Semi standard non polar33892256
Biotinyl-5'-AMP,2TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O5061.8Semi standard non polar33892256
Biotinyl-5'-AMP,2TMS,isomer #3C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)[C@@H](O[Si](C)(C)C)[C@H]1O5086.0Semi standard non polar33892256
Biotinyl-5'-AMP,2TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4960.1Semi standard non polar33892256
Biotinyl-5'-AMP,2TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C)C32)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4918.9Semi standard non polar33892256
Biotinyl-5'-AMP,2TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C215058.0Semi standard non polar33892256
Biotinyl-5'-AMP,2TMS,isomer #7C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)[C@@H](O)[C@H]1O[Si](C)(C)C5086.5Semi standard non polar33892256
Biotinyl-5'-AMP,2TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C214955.6Semi standard non polar33892256
Biotinyl-5'-AMP,2TMS,isomer #9C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C)C32)O[C@H]1N1C=NC2=C(N)N=CN=C214916.0Semi standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C4943.3Semi standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C4472.1Standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C8315.9Standard polar33892256
Biotinyl-5'-AMP,3TMS,isomer #10C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C)C32)[C@@H](O[Si](C)(C)C)[C@H]1O4873.8Semi standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #10C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C)C32)[C@@H](O[Si](C)(C)C)[C@H]1O4475.5Standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #10C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C)C32)[C@@H](O[Si](C)(C)C)[C@H]1O8394.4Standard polar33892256
Biotinyl-5'-AMP,3TMS,isomer #11C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2N([Si](C)(C)C)C(=O)N3[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4646.9Semi standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #11C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2N([Si](C)(C)C)C(=O)N3[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4348.0Standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #11C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2N([Si](C)(C)C)C(=O)N3[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O7869.6Standard polar33892256
Biotinyl-5'-AMP,3TMS,isomer #12C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C5028.3Semi standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #12C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C4556.0Standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #12C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C8242.9Standard polar33892256
Biotinyl-5'-AMP,3TMS,isomer #13C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C214831.4Semi standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #13C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C214457.7Standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #13C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C218125.3Standard polar33892256
Biotinyl-5'-AMP,3TMS,isomer #14C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C)C32)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C214794.5Semi standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #14C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C)C32)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C214433.7Standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #14C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C)C32)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C218159.6Standard polar33892256
Biotinyl-5'-AMP,3TMS,isomer #15C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C214975.2Semi standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #15C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C214579.1Standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #15C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C218425.0Standard polar33892256
Biotinyl-5'-AMP,3TMS,isomer #16C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C4911.0Semi standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #16C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C4489.1Standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #16C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C8362.5Standard polar33892256
Biotinyl-5'-AMP,3TMS,isomer #17C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C)C32)[C@@H](O)[C@H]1O[Si](C)(C)C4873.8Semi standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #17C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C)C32)[C@@H](O)[C@H]1O[Si](C)(C)C4471.3Standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #17C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C)C32)[C@@H](O)[C@H]1O[Si](C)(C)C8408.6Standard polar33892256
Biotinyl-5'-AMP,3TMS,isomer #18C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2N([Si](C)(C)C)C(=O)N3[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C214634.3Semi standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #18C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2N([Si](C)(C)C)C(=O)N3[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C214351.7Standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #18C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2N([Si](C)(C)C)C(=O)N3[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C217886.2Standard polar33892256
Biotinyl-5'-AMP,3TMS,isomer #19C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)OC(=O)CCCC[C@@H]1SCC2NC(=O)NC214993.4Semi standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #19C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)OC(=O)CCCC[C@@H]1SCC2NC(=O)NC214646.8Standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #19C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)OC(=O)CCCC[C@@H]1SCC2NC(=O)NC218045.9Standard polar33892256
Biotinyl-5'-AMP,3TMS,isomer #2C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C5018.8Semi standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #2C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4508.7Standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #2C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C8628.0Standard polar33892256
Biotinyl-5'-AMP,3TMS,isomer #20C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O4920.0Semi standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #20C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O4549.3Standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #20C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O8002.6Standard polar33892256
Biotinyl-5'-AMP,3TMS,isomer #21C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C)C32)O[Si](C)(C)C)[C@@H](O)[C@H]1O4886.8Semi standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #21C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C)C32)O[Si](C)(C)C)[C@@H](O)[C@H]1O4529.7Standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #21C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C)C32)O[Si](C)(C)C)[C@@H](O)[C@H]1O8045.6Standard polar33892256
Biotinyl-5'-AMP,3TMS,isomer #22C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)OC(=O)CCCC[C@@H]1SCC2C1N([Si](C)(C)C)C(=O)N2[Si](C)(C)C4651.7Semi standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #22C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)OC(=O)CCCC[C@@H]1SCC2C1N([Si](C)(C)C)C(=O)N2[Si](C)(C)C4391.7Standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #22C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)OC(=O)CCCC[C@@H]1SCC2C1N([Si](C)(C)C)C(=O)N2[Si](C)(C)C7613.1Standard polar33892256
Biotinyl-5'-AMP,3TMS,isomer #23C[Si](C)(C)N1C(=O)NC2C1CS[C@H]2CCCCC(=O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4881.6Semi standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #23C[Si](C)(C)N1C(=O)NC2C1CS[C@H]2CCCCC(=O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4560.8Standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #23C[Si](C)(C)N1C(=O)NC2C1CS[C@H]2CCCCC(=O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O8214.7Standard polar33892256
Biotinyl-5'-AMP,3TMS,isomer #24C[Si](C)(C)N1C(=O)NC2CS[C@@H](CCCCC(=O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C54)[C@H](O)[C@@H]3O)C214848.2Semi standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #24C[Si](C)(C)N1C(=O)NC2CS[C@@H](CCCCC(=O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C54)[C@H](O)[C@@H]3O)C214545.4Standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #24C[Si](C)(C)N1C(=O)NC2CS[C@@H](CCCCC(=O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C54)[C@H](O)[C@@H]3O)C218261.9Standard polar33892256
Biotinyl-5'-AMP,3TMS,isomer #25C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2N([Si](C)(C)C)C(=O)N3[Si](C)(C)C)[C@@H](O)[C@H]1O4708.8Semi standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #25C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2N([Si](C)(C)C)C(=O)N3[Si](C)(C)C)[C@@H](O)[C@H]1O4419.6Standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #25C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2N([Si](C)(C)C)C(=O)N3[Si](C)(C)C)[C@@H](O)[C@H]1O7760.0Standard polar33892256
Biotinyl-5'-AMP,3TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C4840.6Semi standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C4413.8Standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C8454.3Standard polar33892256
Biotinyl-5'-AMP,3TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C)C32)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C4797.7Semi standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C)C32)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C4391.6Standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C)C32)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C8490.2Standard polar33892256
Biotinyl-5'-AMP,3TMS,isomer #5C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O5028.0Semi standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #5C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O4557.7Standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #5C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O8221.0Standard polar33892256
Biotinyl-5'-AMP,3TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4834.3Semi standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4458.5Standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O8109.8Standard polar33892256
Biotinyl-5'-AMP,3TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C)C32)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4798.5Semi standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C)C32)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4434.9Standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C)C32)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O8144.0Standard polar33892256
Biotinyl-5'-AMP,3TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O4975.8Semi standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O4582.2Standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O8414.4Standard polar33892256
Biotinyl-5'-AMP,3TMS,isomer #9C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O4912.7Semi standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #9C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O4492.9Standard non polar33892256
Biotinyl-5'-AMP,3TMS,isomer #9C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O8348.3Standard polar33892256
Biotinyl-5'-AMP,4TMS,isomer #1C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4943.8Semi standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #1C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4511.4Standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #1C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C7863.9Standard polar33892256
Biotinyl-5'-AMP,4TMS,isomer #10C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C)C32)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O4799.9Semi standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #10C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C)C32)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O4482.8Standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #10C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C)C32)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O7624.4Standard polar33892256
Biotinyl-5'-AMP,4TMS,isomer #11C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3C2N([Si](C)(C)C)C(=O)N3[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4573.1Semi standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #11C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3C2N([Si](C)(C)C)C(=O)N3[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4337.2Standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #11C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3C2N([Si](C)(C)C)C(=O)N3[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O7248.7Standard polar33892256
Biotinyl-5'-AMP,4TMS,isomer #12C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O4806.1Semi standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #12C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O4529.8Standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #12C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O7721.6Standard polar33892256
Biotinyl-5'-AMP,4TMS,isomer #13C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C)C32)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O4780.7Semi standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #13C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C)C32)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O4510.1Standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #13C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C)C32)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O7759.5Standard polar33892256
Biotinyl-5'-AMP,4TMS,isomer #14C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2N([Si](C)(C)C)C(=O)N3[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O4632.7Semi standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #14C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2N([Si](C)(C)C)C(=O)N3[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O4387.3Standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #14C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2N([Si](C)(C)C)C(=O)N3[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O7274.7Standard polar33892256
Biotinyl-5'-AMP,4TMS,isomer #15C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C214925.0Semi standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #15C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C214575.3Standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #15C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C217606.8Standard polar33892256
Biotinyl-5'-AMP,4TMS,isomer #16C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C4833.4Semi standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #16C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C4507.9Standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #16C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C7618.5Standard polar33892256
Biotinyl-5'-AMP,4TMS,isomer #17C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C)C32)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C4802.6Semi standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #17C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C)C32)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C4482.9Standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #17C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C)C32)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C7651.6Standard polar33892256
Biotinyl-5'-AMP,4TMS,isomer #18C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3C2N([Si](C)(C)C)C(=O)N3[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C214565.7Semi standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #18C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3C2N([Si](C)(C)C)C(=O)N3[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C214338.0Standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #18C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3C2N([Si](C)(C)C)C(=O)N3[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C217267.6Standard polar33892256
Biotinyl-5'-AMP,4TMS,isomer #19C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C214801.4Semi standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #19C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C214529.9Standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #19C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C217736.8Standard polar33892256
Biotinyl-5'-AMP,4TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C4726.0Semi standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C4406.1Standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C7862.0Standard polar33892256
Biotinyl-5'-AMP,4TMS,isomer #20C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C)C32)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C214776.2Semi standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #20C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C)C32)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C214509.5Standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #20C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C)C32)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C217774.8Standard polar33892256
Biotinyl-5'-AMP,4TMS,isomer #21C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2N([Si](C)(C)C)C(=O)N3[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C4625.7Semi standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #21C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2N([Si](C)(C)C)C(=O)N3[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C4389.9Standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #21C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2N([Si](C)(C)C)C(=O)N3[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C7290.3Standard polar33892256
Biotinyl-5'-AMP,4TMS,isomer #22C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)OC(=O)CCCC[C@@H]1SCC2C1NC(=O)N2[Si](C)(C)C4818.8Semi standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #22C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)OC(=O)CCCC[C@@H]1SCC2C1NC(=O)N2[Si](C)(C)C4574.9Standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #22C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)OC(=O)CCCC[C@@H]1SCC2C1NC(=O)N2[Si](C)(C)C7421.8Standard polar33892256
Biotinyl-5'-AMP,4TMS,isomer #23C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)OC(=O)CCCC[C@@H]1SCC2NC(=O)N([Si](C)(C)C)C214799.5Semi standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #23C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)OC(=O)CCCC[C@@H]1SCC2NC(=O)N([Si](C)(C)C)C214555.5Standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #23C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)OC(=O)CCCC[C@@H]1SCC2NC(=O)N([Si](C)(C)C)C217456.9Standard polar33892256
Biotinyl-5'-AMP,4TMS,isomer #24C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3C2N([Si](C)(C)C)C(=O)N3[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O4651.7Semi standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #24C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3C2N([Si](C)(C)C)C(=O)N3[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O4429.4Standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #24C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3C2N([Si](C)(C)C)C(=O)N3[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O6994.3Standard polar33892256
Biotinyl-5'-AMP,4TMS,isomer #25C[Si](C)(C)N1C(=O)N([Si](C)(C)C)C2C1CS[C@H]2CCCCC(=O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4638.4Semi standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #25C[Si](C)(C)N1C(=O)N([Si](C)(C)C)C2C1CS[C@H]2CCCCC(=O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4456.9Standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #25C[Si](C)(C)N1C(=O)N([Si](C)(C)C)C2C1CS[C@H]2CCCCC(=O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O7087.9Standard polar33892256
Biotinyl-5'-AMP,4TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C)C32)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C4694.6Semi standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C)C32)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C4377.2Standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C)C32)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C7886.7Standard polar33892256
Biotinyl-5'-AMP,4TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C4921.9Semi standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C4543.1Standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C7940.3Standard polar33892256
Biotinyl-5'-AMP,4TMS,isomer #5C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4833.7Semi standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #5C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4473.6Standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #5C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C7953.8Standard polar33892256
Biotinyl-5'-AMP,4TMS,isomer #6C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C)C32)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4801.3Semi standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #6C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C)C32)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4449.3Standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #6C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C)C32)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C7989.5Standard polar33892256
Biotinyl-5'-AMP,4TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2N([Si](C)(C)C)C(=O)N3[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C4559.4Semi standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2N([Si](C)(C)C)C(=O)N3[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C4308.7Standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2N([Si](C)(C)C)C(=O)N3[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C7553.5Standard polar33892256
Biotinyl-5'-AMP,4TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O4922.5Semi standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O4575.9Standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O7579.5Standard polar33892256
Biotinyl-5'-AMP,4TMS,isomer #9C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O4831.8Semi standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #9C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O4507.1Standard non polar33892256
Biotinyl-5'-AMP,4TMS,isomer #9C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O7591.5Standard polar33892256
Biotinyl-5'-AMP,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O5356.9Semi standard non polar33892256
Biotinyl-5'-AMP,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)O[C@H]1N1C=NC2=C(N)N=CN=C215355.2Semi standard non polar33892256
Biotinyl-5'-AMP,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)OC(=O)CCCC[C@@H]1SCC2NC(=O)NC215355.8Semi standard non polar33892256
Biotinyl-5'-AMP,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)[C@@H](O)[C@H]1O5345.7Semi standard non polar33892256
Biotinyl-5'-AMP,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)N1C(=O)NC2C1CS[C@H]2CCCCC(=O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O5308.0Semi standard non polar33892256
Biotinyl-5'-AMP,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)N1C(=O)NC2CS[C@@H](CCCCC(=O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)C215277.4Semi standard non polar33892256
Biotinyl-5'-AMP,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C5424.0Semi standard non polar33892256
Biotinyl-5'-AMP,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O5455.0Semi standard non polar33892256
Biotinyl-5'-AMP,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)OC(=O)CCCC[C@@H]1SCC2C1NC(=O)N2[Si](C)(C)C(C)(C)C5386.9Semi standard non polar33892256
Biotinyl-5'-AMP,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)OC(=O)CCCC[C@@H]1SCC2NC(=O)N([Si](C)(C)C(C)(C)C)C215357.4Semi standard non polar33892256
Biotinyl-5'-AMP,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C5431.3Semi standard non polar33892256
Biotinyl-5'-AMP,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O5431.5Semi standard non polar33892256
Biotinyl-5'-AMP,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C(C)(C)C)C32)[C@@H](O)[C@H]1O5401.7Semi standard non polar33892256
Biotinyl-5'-AMP,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)N1C(=O)N([Si](C)(C)C(C)(C)C)C2C1CS[C@H]2CCCCC(=O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O5186.1Semi standard non polar33892256
Biotinyl-5'-AMP,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O5432.3Semi standard non polar33892256
Biotinyl-5'-AMP,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O5444.6Semi standard non polar33892256
Biotinyl-5'-AMP,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O5396.5Semi standard non polar33892256
Biotinyl-5'-AMP,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C(C)(C)C)C32)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O5364.8Semi standard non polar33892256
Biotinyl-5'-AMP,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C215431.0Semi standard non polar33892256
Biotinyl-5'-AMP,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C5446.0Semi standard non polar33892256
Biotinyl-5'-AMP,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3C2NC(=O)N3[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C215393.0Semi standard non polar33892256
Biotinyl-5'-AMP,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3NC(=O)N([Si](C)(C)C(C)(C)C)C32)O[C@H]1N1C=NC2=C(N)N=CN=C215360.9Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Biotinyl-5'-AMP GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-6729030000-2cb82379b8e96b597b132017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Biotinyl-5'-AMP GC-MS (1 TMS) - 70eV, Positivesplash10-00kb-9733703000-98bae5a17ded037046292017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Biotinyl-5'-AMP GC-MS ("Biotinyl-5'-AMP,1TMS,#1" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Biotinyl-5'-AMP GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Biotinyl-5'-AMP GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Biotinyl-5'-AMP GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Biotinyl-5'-AMP GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Biotinyl-5'-AMP GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Biotinyl-5'-AMP GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Biotinyl-5'-AMP GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Biotinyl-5'-AMP GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Biotinyl-5'-AMP GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Biotinyl-5'-AMP GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Biotinyl-5'-AMP GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Biotinyl-5'-AMP GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Biotinyl-5'-AMP GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Biotinyl-5'-AMP GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Biotinyl-5'-AMP GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Biotinyl-5'-AMP GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Biotinyl-5'-AMP GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Biotinyl-5'-AMP GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Biotinyl-5'-AMP GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Biotinyl-5'-AMP GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Biotinyl-5'-AMP GC-MS (TMS_2_16) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Biotinyl-5'-AMP GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Biotinyl-5'-AMP 10V, Positive-QTOFsplash10-000i-0942030000-e61e914c7ef0f87ef7ce2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Biotinyl-5'-AMP 20V, Positive-QTOFsplash10-000i-0910000000-90a339c73ce7d6e183072015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Biotinyl-5'-AMP 40V, Positive-QTOFsplash10-000i-2900000000-4473efe13a9fdcd356f62015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Biotinyl-5'-AMP 10V, Negative-QTOFsplash10-00c0-2309030000-db991b74538e5511fc082015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Biotinyl-5'-AMP 20V, Negative-QTOFsplash10-003r-7902000000-c38c4f3a31b23503bb6d2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Biotinyl-5'-AMP 40V, Negative-QTOFsplash10-003r-9400000000-f14ea50608a771c5ffc02015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Biotinyl-5'-AMP 10V, Positive-QTOFsplash10-00di-0101090000-26c429c0d542be98a8532021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Biotinyl-5'-AMP 20V, Positive-QTOFsplash10-000i-0940020000-3590ed25fbf2aee9ac0c2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Biotinyl-5'-AMP 40V, Positive-QTOFsplash10-000i-0931010000-189f936a74fee5be25d12021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Biotinyl-5'-AMP 10V, Negative-QTOFsplash10-00di-0001090000-4427dd4df762a2ebe8892021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Biotinyl-5'-AMP 20V, Negative-QTOFsplash10-00b9-9004080000-1810ce9ed7993ec252eb2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Biotinyl-5'-AMP 40V, Negative-QTOFsplash10-01t9-9200000000-0a1f3c98da5c89d7c1192021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB023336
KNApSAcK IDNot Available
Chemspider ID389681
KEGG Compound IDC05921
BioCyc IDNot Available
BiGG ID46920
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound440839
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDBTAMP
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceChristner, James E.; Coon, Minor J. Synthesis of (+)-biotinyl 5'-adenylate. Methods Enzymol. (1970), 18(Pt. A), 386-90.
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Pacheco-Alvarez D, Solorzano-Vargas RS, Gonzalez-Noriega A, Michalak C, Zempleni J, Leon-Del-Rio A: Biotin availability regulates expression of the sodium-dependent multivitamin transporter and the rate of biotin uptake in HepG2 cells. Mol Genet Metab. 2005 Aug;85(4):301-7. [PubMed:15905112 ]
  2. Solorzano-Vargas RS, Pacheco-Alvarez D, Leon-Del-Rio A: Holocarboxylase synthetase is an obligate participant in biotin-mediated regulation of its own expression and of biotin-dependent carboxylases mRNA levels in human cells. Proc Natl Acad Sci U S A. 2002 Apr 16;99(8):5325-30. [PubMed:11959985 ]

Enzymes

Enzyme Details
1. Biotin--protein ligase
General function:
Involved in biotin-[acetyl-CoA-carboxylase] ligase activity
Specific function:
Post-translational modification of specific protein by attachment of biotin. Acts on various carboxylases such as acetyl-CoA-carboxylase, pyruvate carboxylase, propionyl CoA carboxylase, and 3-methylcrotonyl CoA carboxylase.
Gene Name:
HLCS
Uniprot ID:
P50747
Molecular weight:
80759.345
Reactions
Adenosine triphosphate + Biotin → Pyrophosphate + Biotinyl-5'-AMPdetails
Biotinyl-5'-AMP + Apo-[carboxylase] → Adenosine monophosphate + Holo-[carboxylase]details