Hmdb loader

Showing metabocard for CDP (HMDB0001546)

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enzymes (32) Show 32 proteins
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2021-09-14 15:48:15 UTC
HMDB IDHMDB0001546
Secondary Accession Numbers
  • HMDB01546
Metabolite Identification
Common NameCDP
DescriptionCytidine diphosphate, abbreviated CDP, and also known as 5'-CDP, belongs to the class of organic compounds known as pyrimidine ribonucleoside diphosphates. These are pyrimidine ribonucleotides with diphosphate group linked to the ribose moiety. It is a cytosine nucleotide containing two phosphate groups esterified to the sugar moiety. CDP exists in all living species, ranging from bacteria to humans. In humans, CDP is involved in cardiolipin biosynthesis. Outside of the human body, CDP has been detected, but not quantified in several different foods, such as carobs, mexican oregano, evergreen huckleberries, green vegetables, and pepper (Capsicum baccatum).
Structure
Data?1600195398
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0001546 (CDP)


  Mrv1652309042000242D          

 25 26  0  0  0  0            999 V2000
 9998.433210001.5481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.222310001.5399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.6882 9999.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.211410000.9255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.403510000.1010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.1168 9999.6899    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
 9995.7809 9998.4518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10002.832110000.1010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.7066 9998.9756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.5312 9998.9756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.5536 9999.7023    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10003.1414 9998.9880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.269010000.1133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.9659 9998.9880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.9245 9999.6897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9997.210110000.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.4955 9999.6896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9996.4955 9998.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.2100 9998.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.9245 9998.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.3096 9999.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.642210000.0919    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.897110000.8765    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9999.722110000.8765    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9999.977010000.0919    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 15 16  1  0  0  0  0
 20 15  1  0  0  0  0
 16  4  2  0  0  0  0
 18  7  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
 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
 23  1  1  6  0  0  0
 22 15  1  1  0  0  0
 24  2  1  6  0  0  0
 25  3  1  1  0  0  0
M  END
Download

3D MOL for HMDB0001546 (CDP)

HMDB0001546
     RDKit          3D
CDP
 40 41  0  0  0  0  0  0  0  0999 V2000
    5.7352   -2.3919    2.4140 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5258   -1.8675    1.7748 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4008   -2.6114    1.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3075   -1.9534    0.9586 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3904   -0.6253    0.6552 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1923    0.0340    0.2604 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9090    0.2990   -1.0505 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1620    1.1936   -0.8970 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9165    1.5992   -2.0809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4121    0.3858   -2.6585 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7329   -0.1030   -1.7025 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.2786    0.9986   -0.8501 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1103   -1.3773   -0.7236 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9544   -0.7762   -2.5941 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1712   -1.1975   -1.4407 P   0  0  0  0  0  5  0  0  0  0  0  0
   -4.6100   -1.0945   -0.0156 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3931   -0.0588   -1.6625 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7178   -2.7679   -1.6472 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5219    2.2641   -0.1027 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2928    3.2816    0.3557 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9997    1.3411    1.0410 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1217    1.2344    1.9108 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4847    0.0718    0.8832 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5671    1.3258    0.5847 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5398   -0.5618    1.4379 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0090   -3.3480    2.2424 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2894   -1.7489    3.0367 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3592   -3.6597    1.7829 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4022   -2.5172    0.7119 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3043   -0.5940    0.6221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8651    0.7132   -0.1157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6604    2.3502   -1.9032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1792    1.9798   -2.8398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2669   -1.2373    0.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4508    0.0617   -2.6658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2041   -2.8027   -2.5118 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3747    2.7120   -0.6579 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1487    3.5846    1.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8254    1.6938    1.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2129    1.4118    2.8512 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
  8 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
  5 23  1  0
 23 24  2  0
 23 25  1  0
 25  2  2  0
 21  6  1  0
  1 26  1  0
  1 27  1  0
  3 28  1  0
  4 29  1  0
  6 30  1  1
  8 31  1  1
  9 32  1  0
  9 33  1  0
 13 34  1  0
 17 35  1  0
 18 36  1  0
 19 37  1  6
 20 38  1  0
 21 39  1  1
 22 40  1  0
M  END
Download

3D SDF for HMDB0001546 (CDP)


  Mrv1652309042000242D          

 25 26  0  0  0  0            999 V2000
 9998.433210001.5481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.222310001.5399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.6882 9999.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.211410000.9255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.403510000.1010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.1168 9999.6899    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
 9995.7809 9998.4518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10002.832110000.1010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.7066 9998.9756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.5312 9998.9756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.5536 9999.7023    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10003.1414 9998.9880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.269010000.1133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.9659 9998.9880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.9245 9999.6897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9997.210110000.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.4955 9999.6896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9996.4955 9998.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.2100 9998.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.9245 9998.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.3096 9999.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.642210000.0919    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.897110000.8765    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9999.722110000.8765    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9999.977010000.0919    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 15 16  1  0  0  0  0
 20 15  1  0  0  0  0
 16  4  2  0  0  0  0
 18  7  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
 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
 23  1  1  6  0  0  0
 22 15  1  1  0  0  0
 24  2  1  6  0  0  0
 25  3  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0001546

> <DATABASE_NAME>
hmdb

> <SMILES>
NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1

> <INCHI_KEY>
ZWIADYZPOWUWEW-XVFCMESISA-N

> <FORMULA>
C9H15N3O11P2

> <MOLECULAR_WEIGHT>
403.1764

> <EXACT_MASS>
403.018181361

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
31.38641764457615

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid

> <ALOGPS_LOGP>
-1.38

> <JCHEM_LOGP>
-3.342881794666666

> <ALOGPS_LOGS>
-1.60

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.2106934533838944

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7787851127589387

> <JCHEM_PKA_STRONGEST_BASIC>
-0.03320007450946405

> <JCHEM_POLAR_SURFACE_AREA>
221.66999999999996

> <JCHEM_REFRACTIVITY>
76.2906

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.01e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
CDP

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0001546 (CDP)

HMDB0001546
     RDKit          3D
CDP
 40 41  0  0  0  0  0  0  0  0999 V2000
    5.7352   -2.3919    2.4140 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5258   -1.8675    1.7748 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4008   -2.6114    1.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3075   -1.9534    0.9586 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3904   -0.6253    0.6552 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1923    0.0340    0.2604 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9090    0.2990   -1.0505 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1620    1.1936   -0.8970 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9165    1.5992   -2.0809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4121    0.3858   -2.6585 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7329   -0.1030   -1.7025 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.2786    0.9986   -0.8501 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1103   -1.3773   -0.7236 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9544   -0.7762   -2.5941 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1712   -1.1975   -1.4407 P   0  0  0  0  0  5  0  0  0  0  0  0
   -4.6100   -1.0945   -0.0156 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3931   -0.0588   -1.6625 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7178   -2.7679   -1.6472 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5219    2.2641   -0.1027 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2928    3.2816    0.3557 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9997    1.3411    1.0410 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1217    1.2344    1.9108 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4847    0.0718    0.8832 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5671    1.3258    0.5847 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5398   -0.5618    1.4379 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0090   -3.3480    2.2424 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2894   -1.7489    3.0367 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3592   -3.6597    1.7829 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4022   -2.5172    0.7119 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3043   -0.5940    0.6221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8651    0.7132   -0.1157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6604    2.3502   -1.9032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1792    1.9798   -2.8398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2669   -1.2373    0.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4508    0.0617   -2.6658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2041   -2.8027   -2.5118 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3747    2.7120   -0.6579 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1487    3.5846    1.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8254    1.6938    1.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2129    1.4118    2.8512 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
  8 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
  5 23  1  0
 23 24  2  0
 23 25  1  0
 25  2  2  0
 21  6  1  0
  1 26  1  0
  1 27  1  0
  3 28  1  0
  4 29  1  0
  6 30  1  1
  8 31  1  1
  9 32  1  0
  9 33  1  0
 13 34  1  0
 17 35  1  0
 18 36  1  0
 19 37  1  6
 20 38  1  0
 21 39  1  1
 22 40  1  0
M  END
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PDB for HMDB0001546 (CDP)

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  O   UNK     0    8663.7428669.556   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0    8667.0828669.541   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0    8667.9518666.088   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0    8661.4618668.394   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0    8669.2878666.855   0.000  0.00  0.00           O+0
HETATM    6  P   UNK     0    8670.6188666.088   0.000  0.00  0.00           P+0
HETATM    7  N   UNK     0    8658.7918663.777   0.000  0.00  0.00           N+0
HETATM    8  O   UNK     0    8671.9538666.855   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0    8669.8528664.754   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0    8671.3928664.754   0.000  0.00  0.00           O+0
HETATM   11  P   UNK     0    8673.3008666.111   0.000  0.00  0.00           P+0
HETATM   12  O   UNK     0    8672.5318664.778   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0    8674.6358666.878   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0    8674.0708664.778   0.000  0.00  0.00           O+0
HETATM   15  N   UNK     0    8662.7928666.087   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0    8661.4598666.857   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0    8660.1258666.087   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0    8660.1258664.547   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8661.4598663.777   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8662.7928664.547   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0    8665.3788665.933   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0    8664.1328666.838   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0    8664.6088668.303   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0    8666.1488668.303   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0    8666.6248666.838   0.000  0.00  0.00           C+0
CONECT    1   23                                                            
CONECT    2   24                                                            
CONECT    3    5   25                                                       
CONECT    4   16                                                            
CONECT    5    3    6                                                       
CONECT    6    5    8    9   10                                             
CONECT    7   18                                                            
CONECT    8    6   11                                                       
CONECT    9    6                                                            
CONECT   10    6                                                            
CONECT   11    8   12   13   14                                             
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14   11                                                            
CONECT   15   16   20   22                                                  
CONECT   16   17   15    4                                                  
CONECT   17   16   18                                                       
CONECT   18   19   17    7                                                  
CONECT   19   18   20                                                       
CONECT   20   19   15                                                       
CONECT   21   22   25                                                       
CONECT   22   23   21   15                                                  
CONECT   23   22   24    1                                                  
CONECT   24   23   25    2                                                  
CONECT   25   24   21    3                                                  
MASTER        0    0    0    0    0    0    0    0   25    0   52    0
END
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3D PDB for HMDB0001546 (CDP)

COMPND    HMDB0001546
HETATM    1  N1  UNL     1       5.735  -2.392   2.414  1.00  0.00           N  
HETATM    2  C1  UNL     1       4.526  -1.867   1.775  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.401  -2.611   1.536  1.00  0.00           C  
HETATM    4  C3  UNL     1       2.308  -1.953   0.959  1.00  0.00           C  
HETATM    5  N2  UNL     1       2.390  -0.625   0.655  1.00  0.00           N  
HETATM    6  C4  UNL     1       1.192   0.034   0.260  1.00  0.00           C  
HETATM    7  O1  UNL     1       0.909   0.299  -1.050  1.00  0.00           O  
HETATM    8  C5  UNL     1      -0.162   1.194  -0.897  1.00  0.00           C  
HETATM    9  C6  UNL     1      -0.917   1.599  -2.081  1.00  0.00           C  
HETATM   10  O2  UNL     1      -1.412   0.386  -2.659  1.00  0.00           O  
HETATM   11  P1  UNL     1      -2.733  -0.103  -1.703  1.00  0.00           P  
HETATM   12  O3  UNL     1      -3.279   0.999  -0.850  1.00  0.00           O  
HETATM   13  O4  UNL     1      -2.110  -1.377  -0.724  1.00  0.00           O  
HETATM   14  O5  UNL     1      -3.954  -0.776  -2.594  1.00  0.00           O  
HETATM   15  P2  UNL     1      -5.171  -1.197  -1.441  1.00  0.00           P  
HETATM   16  O6  UNL     1      -4.610  -1.095  -0.016  1.00  0.00           O  
HETATM   17  O7  UNL     1      -6.393  -0.059  -1.663  1.00  0.00           O  
HETATM   18  O8  UNL     1      -5.718  -2.768  -1.647  1.00  0.00           O  
HETATM   19  C7  UNL     1       0.522   2.264  -0.103  1.00  0.00           C  
HETATM   20  O9  UNL     1      -0.293   3.282   0.356  1.00  0.00           O  
HETATM   21  C8  UNL     1       1.000   1.341   1.041  1.00  0.00           C  
HETATM   22  O10 UNL     1      -0.122   1.234   1.911  1.00  0.00           O  
HETATM   23  C9  UNL     1       3.485   0.072   0.883  1.00  0.00           C  
HETATM   24  O11 UNL     1       3.567   1.326   0.585  1.00  0.00           O  
HETATM   25  N3  UNL     1       4.540  -0.562   1.438  1.00  0.00           N  
HETATM   26  H1  UNL     1       6.009  -3.348   2.242  1.00  0.00           H  
HETATM   27  H2  UNL     1       6.289  -1.749   3.037  1.00  0.00           H  
HETATM   28  H3  UNL     1       3.359  -3.660   1.783  1.00  0.00           H  
HETATM   29  H4  UNL     1       1.402  -2.517   0.712  1.00  0.00           H  
HETATM   30  H5  UNL     1       0.304  -0.594   0.622  1.00  0.00           H  
HETATM   31  H6  UNL     1      -0.865   0.713  -0.116  1.00  0.00           H  
HETATM   32  H7  UNL     1      -1.660   2.350  -1.903  1.00  0.00           H  
HETATM   33  H8  UNL     1      -0.179   1.980  -2.840  1.00  0.00           H  
HETATM   34  H9  UNL     1      -2.267  -1.237   0.225  1.00  0.00           H  
HETATM   35  H10 UNL     1      -6.451   0.062  -2.666  1.00  0.00           H  
HETATM   36  H11 UNL     1      -6.204  -2.803  -2.512  1.00  0.00           H  
HETATM   37  H12 UNL     1       1.375   2.712  -0.658  1.00  0.00           H  
HETATM   38  H13 UNL     1       0.149   3.585   1.232  1.00  0.00           H  
HETATM   39  H14 UNL     1       1.825   1.694   1.603  1.00  0.00           H  
HETATM   40  H15 UNL     1       0.213   1.412   2.851  1.00  0.00           H  
CONECT    1    2   26   27
CONECT    2    3   25   25
CONECT    3    4    4   28
CONECT    4    5   29
CONECT    5    6   23
CONECT    6    7   21   30
CONECT    7    8
CONECT    8    9   19   31
CONECT    9   10   32   33
CONECT   10   11
CONECT   11   12   12   13   14
CONECT   13   34
CONECT   14   15
CONECT   15   16   16   17   18
CONECT   17   35
CONECT   18   36
CONECT   19   20   21   37
CONECT   20   38
CONECT   21   22   39
CONECT   22   40
CONECT   23   24   24   25
END
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SMILES for HMDB0001546 (CDP)

NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
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INCHI for HMDB0001546 (CDP)

InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
5'-CDPChEBI
Cytidine 5'-diphosphateChEBI
Cytidine 5'-diphosphoric acidChEBI
Cytidine 5'-pyrophosphateChEBI
Cytidine diphosphateChEBI
Cytidine, 5'-(trihydrogen pyrophosphate)ChEBI
CYTIDINE-5'-diphosphATEChEBI
Cytidine 5'-pyrophosphoric acidGenerator
Cytidine diphosphoric acidGenerator
Cytidine, 5'-(trihydrogen pyrophosphoric acid)Generator
CYTIDINE-5'-diphosphoric acidGenerator
Cytidine-diphosphateHMDB
Diphosphate, cytidineHMDB
Chemical FormulaC9H15N3O11P2
Average Molecular Weight403.1764
Monoisotopic Molecular Weight403.018181361
IUPAC Name[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
Traditional NameCDP
CAS Registry Number63-38-7
SMILES
NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
InChI Identifier
InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChI KeyZWIADYZPOWUWEW-XVFCMESISA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pyrimidine ribonucleoside diphosphates. These are pyrimidine ribonucleotides with diphosphate group linked to the ribose moiety.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassPyrimidine nucleotides
Sub ClassPyrimidine ribonucleotides
Direct ParentPyrimidine ribonucleoside diphosphates
Alternative Parents
Substituents
  • Pyrimidine ribonucleoside diphosphate
  • Pentose-5-phosphate
  • Pentose phosphate
  • N-glycosyl compound
  • Glycosyl compound
  • Pentose monosaccharide
  • Organic pyrophosphate
  • Monosaccharide phosphate
  • Monoalkyl phosphate
  • Pyrimidone
  • Aminopyrimidine
  • Imidolactam
  • Alkyl phosphate
  • Pyrimidine
  • Phosphoric acid ester
  • Organic phosphoric acid derivative
  • Monosaccharide
  • Hydropyrimidine
  • Heteroaromatic compound
  • Tetrahydrofuran
  • Secondary alcohol
  • 1,2-diol
  • Oxacycle
  • Azacycle
  • Organoheterocyclic compound
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Amine
  • Alcohol
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
Process
Naturally occurring process
Role
Industrial application
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP2.44HANSCH,C ET AL. (1995)
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M-H]-Not Available173.2http://allccs.zhulab.cn/database/detail?ID=AllCCS00000129
[M+H]+Not Available175.5http://allccs.zhulab.cn/database/detail?ID=AllCCS00000129
Predicted Molecular Properties
PropertyValueSource
Water Solubility10.1 g/LALOGPS
logP-1.4ALOGPS
logP-3.3ChemAxon
logS-1.6ALOGPS
pKa (Strongest Acidic)1.78ChemAxon
pKa (Strongest Basic)-0.033ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area221.67 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity76.29 m³·mol⁻¹ChemAxon
Polarizability31.39 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+188.18531661259
DarkChem[M-H]-179.16331661259
AllCCS[M+H]+182.28932859911
AllCCS[M-H]-175.18732859911
DeepCCS[M+H]+164.7730932474
DeepCCS[M-H]-162.31230932474
DeepCCS[M-2H]-197.03230932474
DeepCCS[M+Na]+172.35530932474
AllCCS[M+H]+182.332859911
AllCCS[M+H-H2O]+179.832859911
AllCCS[M+NH4]+184.632859911
AllCCS[M+Na]+185.232859911
AllCCS[M-H]-175.232859911
AllCCS[M+Na-2H]-175.232859911
AllCCS[M+HCOO]-175.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
CDPNC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O4330.3Standard polar33892256
CDPNC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O2693.4Standard non polar33892256
CDPNC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O3740.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
CDP,1TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O3359.9Semi standard non polar33892256
CDP,1TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=CC(N)=NC1=O3350.6Semi standard non polar33892256
CDP,1TMS,isomer #3C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)OP(=O)(O)O3425.7Semi standard non polar33892256
CDP,1TMS,isomer #4C[Si](C)(C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O3419.8Semi standard non polar33892256
CDP,1TMS,isomer #5C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)C=C13416.7Semi standard non polar33892256
CDP,2TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C3264.4Semi standard non polar33892256
CDP,2TMS,isomer #10C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O3385.9Semi standard non polar33892256
CDP,2TMS,isomer #11C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C13408.3Semi standard non polar33892256
CDP,2TMS,isomer #12C[Si](C)(C)N(C1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)C=C1)[Si](C)(C)C3387.2Semi standard non polar33892256
CDP,2TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O3336.7Semi standard non polar33892256
CDP,2TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O3325.3Semi standard non polar33892256
CDP,2TMS,isomer #4C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C13354.6Semi standard non polar33892256
CDP,2TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=CC(N)=NC1=O3326.7Semi standard non polar33892256
CDP,2TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=CC(N)=NC1=O3320.0Semi standard non polar33892256
CDP,2TMS,isomer #7C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C13350.4Semi standard non polar33892256
CDP,2TMS,isomer #8C[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C3381.4Semi standard non polar33892256
CDP,2TMS,isomer #9C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]2O)C=C13423.2Semi standard non polar33892256
CDP,3TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C3220.1Semi standard non polar33892256
CDP,3TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C3181.6Standard non polar33892256
CDP,3TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C5143.9Standard polar33892256
CDP,3TMS,isomer #10C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C13326.7Semi standard non polar33892256
CDP,3TMS,isomer #10C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C13321.8Standard non polar33892256
CDP,3TMS,isomer #10C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C14923.8Standard polar33892256
CDP,3TMS,isomer #11C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=CC(N)=NC1=O3265.4Semi standard non polar33892256
CDP,3TMS,isomer #11C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=CC(N)=NC1=O3227.1Standard non polar33892256
CDP,3TMS,isomer #11C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=CC(N)=NC1=O4996.5Standard polar33892256
CDP,3TMS,isomer #12C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C13328.1Semi standard non polar33892256
CDP,3TMS,isomer #12C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C13301.6Standard non polar33892256
CDP,3TMS,isomer #12C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C14967.4Standard polar33892256
CDP,3TMS,isomer #13C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O3266.3Semi standard non polar33892256
CDP,3TMS,isomer #13C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O3323.0Standard non polar33892256
CDP,3TMS,isomer #13C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O5094.4Standard polar33892256
CDP,3TMS,isomer #14C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3301.9Semi standard non polar33892256
CDP,3TMS,isomer #14C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3286.1Standard non polar33892256
CDP,3TMS,isomer #14C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4805.6Standard polar33892256
CDP,3TMS,isomer #15C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C13375.1Semi standard non polar33892256
CDP,3TMS,isomer #15C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C13356.0Standard non polar33892256
CDP,3TMS,isomer #15C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C14747.0Standard polar33892256
CDP,3TMS,isomer #16C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)OP(=O)(O)O3339.4Semi standard non polar33892256
CDP,3TMS,isomer #16C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)OP(=O)(O)O3366.2Standard non polar33892256
CDP,3TMS,isomer #16C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)OP(=O)(O)O4877.4Standard polar33892256
CDP,3TMS,isomer #17C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C13380.2Semi standard non polar33892256
CDP,3TMS,isomer #17C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C13356.2Standard non polar33892256
CDP,3TMS,isomer #17C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C14776.8Standard polar33892256
CDP,3TMS,isomer #18C[Si](C)(C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O3336.7Semi standard non polar33892256
CDP,3TMS,isomer #18C[Si](C)(C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O3348.4Standard non polar33892256
CDP,3TMS,isomer #18C[Si](C)(C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O4929.6Standard polar33892256
CDP,3TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C3224.5Semi standard non polar33892256
CDP,3TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C3168.5Standard non polar33892256
CDP,3TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C5146.8Standard polar33892256
CDP,3TMS,isomer #3C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C13271.2Semi standard non polar33892256
CDP,3TMS,isomer #3C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C13254.1Standard non polar33892256
CDP,3TMS,isomer #3C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C15148.9Standard polar33892256
CDP,3TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O3259.5Semi standard non polar33892256
CDP,3TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O3212.4Standard non polar33892256
CDP,3TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O4925.1Standard polar33892256
CDP,3TMS,isomer #5C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C13325.0Semi standard non polar33892256
CDP,3TMS,isomer #5C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C13298.0Standard non polar33892256
CDP,3TMS,isomer #5C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C14898.8Standard polar33892256
CDP,3TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O3269.4Semi standard non polar33892256
CDP,3TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O3208.5Standard non polar33892256
CDP,3TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O4973.7Standard polar33892256
CDP,3TMS,isomer #7C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C13321.8Semi standard non polar33892256
CDP,3TMS,isomer #7C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C13279.3Standard non polar33892256
CDP,3TMS,isomer #7C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C14951.4Standard polar33892256
CDP,3TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O3269.9Semi standard non polar33892256
CDP,3TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O3301.9Standard non polar33892256
CDP,3TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O5079.1Standard polar33892256
CDP,3TMS,isomer #9C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=CC(N)=NC1=O3256.5Semi standard non polar33892256
CDP,3TMS,isomer #9C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=CC(N)=NC1=O3232.1Standard non polar33892256
CDP,3TMS,isomer #9C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=CC(N)=NC1=O4948.9Standard polar33892256
CDP,4TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C3198.1Semi standard non polar33892256
CDP,4TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C3159.8Standard non polar33892256
CDP,4TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C4805.9Standard polar33892256
CDP,4TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O3262.1Semi standard non polar33892256
CDP,4TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O3275.1Standard non polar33892256
CDP,4TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O4636.4Standard polar33892256
CDP,4TMS,isomer #11C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=CC(N)=NC1=O3238.1Semi standard non polar33892256
CDP,4TMS,isomer #11C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=CC(N)=NC1=O3197.7Standard non polar33892256
CDP,4TMS,isomer #11C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=CC(N)=NC1=O4610.7Standard polar33892256
CDP,4TMS,isomer #12C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C13324.8Semi standard non polar33892256
CDP,4TMS,isomer #12C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C13294.6Standard non polar33892256
CDP,4TMS,isomer #12C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C14524.6Standard polar33892256
CDP,4TMS,isomer #13C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O3264.1Semi standard non polar33892256
CDP,4TMS,isomer #13C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O3314.0Standard non polar33892256
CDP,4TMS,isomer #13C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O4598.4Standard polar33892256
CDP,4TMS,isomer #14C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C13326.9Semi standard non polar33892256
CDP,4TMS,isomer #14C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C13288.3Standard non polar33892256
CDP,4TMS,isomer #14C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C14531.0Standard polar33892256
CDP,4TMS,isomer #15C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O3262.0Semi standard non polar33892256
CDP,4TMS,isomer #15C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O3296.0Standard non polar33892256
CDP,4TMS,isomer #15C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O4655.8Standard polar33892256
CDP,4TMS,isomer #16C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C13360.6Semi standard non polar33892256
CDP,4TMS,isomer #16C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C13318.6Standard non polar33892256
CDP,4TMS,isomer #16C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C14320.0Standard polar33892256
CDP,4TMS,isomer #17C[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C3309.2Semi standard non polar33892256
CDP,4TMS,isomer #17C[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C3328.9Standard non polar33892256
CDP,4TMS,isomer #17C[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C4447.3Standard polar33892256
CDP,4TMS,isomer #18C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O3313.0Semi standard non polar33892256
CDP,4TMS,isomer #18C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O3326.5Standard non polar33892256
CDP,4TMS,isomer #18C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O4452.5Standard polar33892256
CDP,4TMS,isomer #2C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C13279.6Semi standard non polar33892256
CDP,4TMS,isomer #2C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C13262.0Standard non polar33892256
CDP,4TMS,isomer #2C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C14684.9Standard polar33892256
CDP,4TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C3203.3Semi standard non polar33892256
CDP,4TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C3151.8Standard non polar33892256
CDP,4TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C4829.0Standard polar33892256
CDP,4TMS,isomer #4C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C13285.8Semi standard non polar33892256
CDP,4TMS,isomer #4C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C13247.1Standard non polar33892256
CDP,4TMS,isomer #4C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C14745.9Standard polar33892256
CDP,4TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C3226.0Semi standard non polar33892256
CDP,4TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C3265.1Standard non polar33892256
CDP,4TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C4825.1Standard polar33892256
CDP,4TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O3238.6Semi standard non polar33892256
CDP,4TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O3170.7Standard non polar33892256
CDP,4TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O4583.4Standard polar33892256
CDP,4TMS,isomer #7C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C13322.2Semi standard non polar33892256
CDP,4TMS,isomer #7C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C13267.6Standard non polar33892256
CDP,4TMS,isomer #7C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C14494.2Standard polar33892256
CDP,4TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O3269.1Semi standard non polar33892256
CDP,4TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O3292.2Standard non polar33892256
CDP,4TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O4566.5Standard polar33892256
CDP,4TMS,isomer #9C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C13322.6Semi standard non polar33892256
CDP,4TMS,isomer #9C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C13263.5Standard non polar33892256
CDP,4TMS,isomer #9C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C14512.0Standard polar33892256
CDP,5TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C3188.6Semi standard non polar33892256
CDP,5TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C3106.2Standard non polar33892256
CDP,5TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C4501.7Standard polar33892256
CDP,5TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O3282.2Semi standard non polar33892256
CDP,5TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O3269.1Standard non polar33892256
CDP,5TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O4215.7Standard polar33892256
CDP,5TMS,isomer #11C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O3283.9Semi standard non polar33892256
CDP,5TMS,isomer #11C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O3263.6Standard non polar33892256
CDP,5TMS,isomer #11C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O4201.9Standard polar33892256
CDP,5TMS,isomer #12C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3316.1Semi standard non polar33892256
CDP,5TMS,isomer #12C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3271.1Standard non polar33892256
CDP,5TMS,isomer #12C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4024.1Standard polar33892256
CDP,5TMS,isomer #2C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C13295.2Semi standard non polar33892256
CDP,5TMS,isomer #2C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C13221.8Standard non polar33892256
CDP,5TMS,isomer #2C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C14296.2Standard polar33892256
CDP,5TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C3247.5Semi standard non polar33892256
CDP,5TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C3247.2Standard non polar33892256
CDP,5TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C4344.4Standard polar33892256
CDP,5TMS,isomer #4C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C13287.6Semi standard non polar33892256
CDP,5TMS,isomer #4C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C13221.4Standard non polar33892256
CDP,5TMS,isomer #4C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C14297.7Standard polar33892256
CDP,5TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C3248.8Semi standard non polar33892256
CDP,5TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C3233.7Standard non polar33892256
CDP,5TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C4423.0Standard polar33892256
CDP,5TMS,isomer #6C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C13327.3Semi standard non polar33892256
CDP,5TMS,isomer #6C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C13227.8Standard non polar33892256
CDP,5TMS,isomer #6C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C14058.8Standard polar33892256
CDP,5TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O3288.6Semi standard non polar33892256
CDP,5TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O3244.5Standard non polar33892256
CDP,5TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O4182.9Standard polar33892256
CDP,5TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O3287.7Semi standard non polar33892256
CDP,5TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O3240.1Standard non polar33892256
CDP,5TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O4182.6Standard polar33892256
CDP,5TMS,isomer #9C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C13322.9Semi standard non polar33892256
CDP,5TMS,isomer #9C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C13258.1Standard non polar33892256
CDP,5TMS,isomer #9C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C14093.6Standard polar33892256
CDP,6TMS,isomer #1C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C13287.7Semi standard non polar33892256
CDP,6TMS,isomer #1C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C13181.0Standard non polar33892256
CDP,6TMS,isomer #1C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C13910.9Standard polar33892256
CDP,6TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C3289.8Semi standard non polar33892256
CDP,6TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C3198.3Standard non polar33892256
CDP,6TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C4003.6Standard polar33892256
CDP,6TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C3280.8Semi standard non polar33892256
CDP,6TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C3191.2Standard non polar33892256
CDP,6TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C3995.0Standard polar33892256
CDP,6TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O3326.6Semi standard non polar33892256
CDP,6TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O3190.9Standard non polar33892256
CDP,6TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O3780.8Standard polar33892256
CDP,6TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O3321.7Semi standard non polar33892256
CDP,6TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O3215.8Standard non polar33892256
CDP,6TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O3813.9Standard polar33892256
CDP,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O3619.5Semi standard non polar33892256
CDP,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=CC(N)=NC1=O3611.3Semi standard non polar33892256
CDP,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)OP(=O)(O)O3669.4Semi standard non polar33892256
CDP,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O3662.0Semi standard non polar33892256
CDP,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)C=C13696.2Semi standard non polar33892256
CDP,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C(C)(C)C3717.0Semi standard non polar33892256
CDP,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O3795.1Semi standard non polar33892256
CDP,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C=C13903.3Semi standard non polar33892256
CDP,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)N(C1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)C=C1)[Si](C)(C)C(C)(C)C3805.4Semi standard non polar33892256
CDP,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O3770.9Semi standard non polar33892256
CDP,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O3764.7Semi standard non polar33892256
CDP,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C13831.9Semi standard non polar33892256
CDP,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[C@H]1N1C=CC(N)=NC1=O3774.3Semi standard non polar33892256
CDP,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=CC(N)=NC1=O3769.0Semi standard non polar33892256
CDP,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C13833.2Semi standard non polar33892256
CDP,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C3791.6Semi standard non polar33892256
CDP,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]2O)C=C13894.5Semi standard non polar33892256
CDP,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C(C)(C)C3893.1Semi standard non polar33892256
CDP,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C(C)(C)C3669.6Standard non polar33892256
CDP,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C(C)(C)C5267.9Standard polar33892256
CDP,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C13994.8Semi standard non polar33892256
CDP,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C13833.6Standard non polar33892256
CDP,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C15057.6Standard polar33892256
CDP,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=CC(N)=NC1=O3924.3Semi standard non polar33892256
CDP,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=CC(N)=NC1=O3677.2Standard non polar33892256
CDP,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=CC(N)=NC1=O5119.1Standard polar33892256
CDP,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C14000.9Semi standard non polar33892256
CDP,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C13829.7Standard non polar33892256
CDP,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C15096.8Standard polar33892256
CDP,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC1=O3900.0Semi standard non polar33892256
CDP,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC1=O3857.8Standard non polar33892256
CDP,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC1=O5152.3Standard polar33892256
CDP,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3932.4Semi standard non polar33892256
CDP,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3672.5Standard non polar33892256
CDP,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4922.0Standard polar33892256
CDP,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C=C14030.1Semi standard non polar33892256
CDP,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C=C13829.9Standard non polar33892256
CDP,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C=C14911.6Standard polar33892256
CDP,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)OP(=O)(O)O3947.0Semi standard non polar33892256
CDP,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)OP(=O)(O)O3872.7Standard non polar33892256
CDP,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)OP(=O)(O)O4990.9Standard polar33892256
CDP,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C=C14033.8Semi standard non polar33892256
CDP,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C=C13806.3Standard non polar33892256
CDP,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C=C14938.7Standard polar33892256
CDP,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O)[C@@H]1O3945.0Semi standard non polar33892256
CDP,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O)[C@@H]1O3869.6Standard non polar33892256
CDP,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O)[C@@H]1O5032.0Standard polar33892256
CDP,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C(C)(C)C3891.0Semi standard non polar33892256
CDP,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C(C)(C)C3668.6Standard non polar33892256
CDP,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C(C)(C)C5280.2Standard polar33892256
CDP,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=C13941.5Semi standard non polar33892256
CDP,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=C13793.2Standard non polar33892256
CDP,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=C15227.9Standard polar33892256
CDP,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O3913.1Semi standard non polar33892256
CDP,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O3669.8Standard non polar33892256
CDP,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O5052.5Standard polar33892256
CDP,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C13994.9Semi standard non polar33892256
CDP,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C13800.8Standard non polar33892256
CDP,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C15029.9Standard polar33892256
CDP,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O3921.2Semi standard non polar33892256
CDP,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O3647.3Standard non polar33892256
CDP,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O5098.4Standard polar33892256
CDP,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C13999.3Semi standard non polar33892256
CDP,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C13797.4Standard non polar33892256
CDP,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C15078.6Standard polar33892256
CDP,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)[C@@H]1O3894.1Semi standard non polar33892256
CDP,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)[C@@H]1O3833.1Standard non polar33892256
CDP,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)[C@@H]1O5136.3Standard polar33892256
CDP,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=CC(N)=NC1=O3914.8Semi standard non polar33892256
CDP,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=CC(N)=NC1=O3699.1Standard non polar33892256
CDP,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=CC(N)=NC1=O5076.9Standard polar33892256
CDP,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C(C)(C)C4051.7Semi standard non polar33892256
CDP,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C(C)(C)C3723.1Standard non polar33892256
CDP,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C(C)(C)C4926.7Standard polar33892256
CDP,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)[C@@H]1O4077.2Semi standard non polar33892256
CDP,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)[C@@H]1O3916.1Standard non polar33892256
CDP,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)[C@@H]1O4769.5Standard polar33892256
CDP,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=CC(N)=NC1=O4046.5Semi standard non polar33892256
CDP,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=CC(N)=NC1=O3711.4Standard non polar33892256
CDP,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=CC(N)=NC1=O4750.0Standard polar33892256
CDP,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C14152.6Semi standard non polar33892256
CDP,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C13896.7Standard non polar33892256
CDP,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C14685.6Standard polar33892256
CDP,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[C@H]1N1C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC1=O4088.7Semi standard non polar33892256
CDP,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[C@H]1N1C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC1=O3948.5Standard non polar33892256
CDP,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[C@H]1N1C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC1=O4734.4Standard polar33892256
CDP,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C14156.7Semi standard non polar33892256
CDP,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C13872.2Standard non polar33892256
CDP,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C14695.2Standard polar33892256
CDP,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC1=O4081.5Semi standard non polar33892256
CDP,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC1=O3944.6Standard non polar33892256
CDP,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC1=O4787.3Standard polar33892256
CDP,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C=C14169.4Semi standard non polar33892256
CDP,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C=C13850.7Standard non polar33892256
CDP,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C=C14507.3Standard polar33892256
CDP,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C4095.6Semi standard non polar33892256
CDP,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C3939.5Standard non polar33892256
CDP,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C4600.5Standard polar33892256
CDP,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O)[C@@H]1O4099.9Semi standard non polar33892256
CDP,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O)[C@@H]1O3915.9Standard non polar33892256
CDP,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O)[C@@H]1O4611.1Standard polar33892256
CDP,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=C14118.7Semi standard non polar33892256
CDP,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=C13879.1Standard non polar33892256
CDP,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=C14830.4Standard polar33892256
CDP,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C(C)(C)C4056.8Semi standard non polar33892256
CDP,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C(C)(C)C3701.3Standard non polar33892256
CDP,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C(C)(C)C4957.0Standard polar33892256
CDP,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=C14125.7Semi standard non polar33892256
CDP,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=C13873.1Standard non polar33892256
CDP,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=C14894.3Standard polar33892256
CDP,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C(C)(C)C4060.4Semi standard non polar33892256
CDP,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C(C)(C)C3921.1Standard non polar33892256
CDP,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C(C)(C)C4923.0Standard polar33892256
CDP,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O4054.1Semi standard non polar33892256
CDP,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O3676.3Standard non polar33892256
CDP,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O4721.5Standard polar33892256
CDP,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C14160.2Semi standard non polar33892256
CDP,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C13865.0Standard non polar33892256
CDP,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C14654.4Standard polar33892256
CDP,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)[C@@H]1O4086.4Semi standard non polar33892256
CDP,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)[C@@H]1O3920.5Standard non polar33892256
CDP,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)[C@@H]1O4704.9Standard polar33892256
CDP,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C14160.9Semi standard non polar33892256
CDP,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C13841.5Standard non polar33892256
CDP,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C14676.3Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - CDP GC-MS (Non-derivatized) - 70eV, Positivesplash10-004i-5923000000-f7e7b227d8dab9e29e4b2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - CDP GC-MS (2 TMS) - 70eV, Positivesplash10-00di-3209010000-ff27ee45250db3e351932017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - CDP GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - CDP LC-ESI-ITFT , negative-QTOFsplash10-004i-9000000000-f5d958a3ccf576052a6b2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - CDP LC-ESI-ITFT , negative-QTOFsplash10-00di-0390000000-0274cdf41907924420012017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - CDP LC-ESI-ITFT , negative-QTOFsplash10-0udi-0009000000-2c8a9272dc29076a61672017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - CDP LC-ESI-QTOF , negative-QTOFsplash10-0kdi-9602700000-4b46ddc9506634a02dc52017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - CDP LC-ESI-ITFT , positive-QTOFsplash10-0a4i-0059000000-d598d99a604dda4021812017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - CDP LC-ESI-QTOF , positive-QTOFsplash10-0udi-0003900000-69398917fb0c37a4304f2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - CDP LC-ESI-QTOF , positive-QTOFsplash10-0zg0-0726900000-8d967e8ca6677a467fb82017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - CDP 30V, Positive-QTOFsplash10-0k9i-0927400000-86e5ba01091f928ca88f2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - CDP 20V, Negative-QTOFsplash10-0kdi-9814400000-54042f12a186a46a5a172021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - CDP 30V, Positive-QTOFsplash10-0k9i-0927400000-61338365caaf6cc96edd2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - CDP 35V, Positive-QTOFsplash10-03di-0900000000-2e5da7181d5154fd52872021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - CDP 30V, Negative-QTOFsplash10-056r-8913200000-d327869c80aa6b6ba8b72021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - CDP 30V, Negative-QTOFsplash10-056r-7913200000-4f2656e2010a4274c6522021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - CDP 40V, Negative-QTOFsplash10-004i-9200000000-ae7cefa275aa112f8ff32021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - CDP 10V, Negative-QTOFsplash10-0udi-0000900000-1f74a916c1bec3408d2e2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - CDP 35V, Negative-QTOFsplash10-056r-9601000000-0261d005e8d3964fc2552021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - CDP 30V, Negative-QTOFsplash10-056r-8913200000-3093e23d54c628f19ea02021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - CDP 10V, Positive-QTOFsplash10-03di-0901000000-6aed044cc4135aa261df2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - CDP 20V, Positive-QTOFsplash10-03di-3900000000-92fac6a8baf47bac30142015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - CDP 40V, Positive-QTOFsplash10-03di-5900000000-5ad7bca4dc732a0e38402015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - CDP 10V, Negative-QTOFsplash10-0a4i-0903300000-44d24cfda26f8f0a8d962015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - CDP 20V, Negative-QTOFsplash10-004i-9701000000-d96a23308bcfcf9cf55f2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - CDP 40V, Negative-QTOFsplash10-004i-9100000000-d7e0d2a5e8d20180b4832015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - CDP 10V, Negative-QTOFsplash10-0udi-0100900000-fd8a10c051d8566d4abc2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - CDP 20V, Negative-QTOFsplash10-056r-9418200000-cd847d00773e220445dd2021-09-23Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Mitochondria
  • Nucleus
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified36.0 +/- 12.0 uMAdult (>18 years old)BothNormal
    • Geigy Scientific ...
 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB04555
Phenol Explorer Compound IDNot Available
FooDB IDFDB022683
KNApSAcK IDNot Available
Chemspider ID5902
KEGG Compound IDC00112
BioCyc IDCDP
BiGG ID33901
Wikipedia LinkCytidine_diphosphate
METLIN ID6313
PubChem Compound6132
PDB IDNot Available
ChEBI ID17239
Food Biomarker OntologyNot Available
VMH IDCDP
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceChambers, Robert Warner; Shapiro, Philip; Kurkov, Viktor. Synthesis of cytidine 5'-diphosphate and guanosine 5'-diphosphate. Journal of the American Chemical Society (1960), 82 970-5.
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Houtkooper RH, Akbari H, van Lenthe H, Kulik W, Wanders RJ, Frentzen M, Vaz FM: Identification and characterization of human cardiolipin synthase. FEBS Lett. 2006 May 29;580(13):3059-64. Epub 2006 Apr 27. [PubMed:16678169 ]
  2. George TP, Cook HW, Byers DM, Palmer FB, Spence MW: Inhibition of phosphatidylcholine and phosphatidylethanolamine biosynthesis by cytochalasin B in cultured glioma cells: potential regulation of biosynthesis by Ca(2+)-dependent mechanisms. Biochim Biophys Acta. 1991 Jul 9;1084(2):185-93. [PubMed:1854804 ]
  3. Riekhof WR, Voelker DR: Uptake and utilization of lyso-phosphatidylethanolamine by Saccharomyces cerevisiae. J Biol Chem. 2006 Dec 1;281(48):36588-96. Epub 2006 Oct 2. [PubMed:17015438 ]
  4. Tsitolovskii LE, Kraevskii AA: [Possible relation between learning and non-template RNA synthesis in neurons]. Zh Vyssh Nerv Deiat Im I P Pavlova. 1982 Mar-Apr;32(2):284-91. [PubMed:6178232 ]
  5. Carstensen S, Pliska-Matyshak G, Bhuvarahamurthy N, Robbins KM, Murthy PP: Biosynthesis and localization of phosphatidyl-scyllo-inositol in barley aleurone cells. Lipids. 1999 Jan;34(1):67-73. [PubMed:10188599 ]
  6. Nowicki M, Muller F, Frentzen M: Cardiolipin synthase of Arabidopsis thaliana. FEBS Lett. 2005 Apr 11;579(10):2161-5. [PubMed:15811335 ]
  7. George TP, Morash SC, Cook HW, Byers DM, Palmer FB, Spence MW: Phosphatidylcholine biosynthesis in cultured glioma cells: evidence for channeling of intermediates. Biochim Biophys Acta. 1989 Aug 22;1004(3):283-91. [PubMed:2758024 ]
  8. Houtkooper RH, Vaz FM: Cardiolipin, the heart of mitochondrial metabolism. Cell Mol Life Sci. 2008 Aug;65(16):2493-506. doi: 10.1007/s00018-008-8030-5. [PubMed:18425414 ]
  9. Lindblad L, Schersten T: Incorporation rate in vitro of choline and methyl-methionine into human hepatic lecithins. Scand J Gastroenterol. 1976;11(6):587-91. [PubMed:981963 ]

Only showing the first 10 proteins. There are 32 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details
1. UMP-CMP kinase
General function:
Involved in ATP binding
Specific function:
Catalyzes specific phosphoryl transfer from ATP to UMP and CMP.
Gene Name:
CMPK1
Uniprot ID:
P30085
Molecular weight:
20180.12
Reactions
Adenosine triphosphate + Cytidine monophosphate → ADP + CDPdetails
Enzyme Details
2. Ectonucleoside triphosphate diphosphohydrolase 1
General function:
Involved in hydrolase activity
Specific function:
In the nervous system, could hydrolyze ATP and other nucleotides to regulate purinergic neurotransmission. Could also be implicated in the prevention of platelet aggregation by hydrolyzing platelet-activating ADP to AMP. Hydrolyzes ATP and ADP equally well.
Gene Name:
ENTPD1
Uniprot ID:
P49961
Molecular weight:
58706.0
Reactions
CDP + Water → Cytidine monophosphate + Phosphatedetails
Cytidine triphosphate + Water → CDP + Phosphatedetails
Enzyme Details
3. Soluble calcium-activated nucleotidase 1
General function:
Involved in calcium ion binding
Specific function:
Calcium-dependent nucleotidase with a preference for UDP. The order of activity with different substrates is UDP > GDP > UTP > GTP. Has very low activity towards ADP and even lower activity towards ATP. Does not hydrolyze AMP and GMP. Involved in proteoglycan synthesis.
Gene Name:
CANT1
Uniprot ID:
Q8WVQ1
Molecular weight:
44839.24
Enzyme Details
4. Ectonucleoside triphosphate diphosphohydrolase 3
General function:
Involved in hydrolase activity
Specific function:
Has a threefold preference for the hydrolysis of ATP over ADP.
Gene Name:
ENTPD3
Uniprot ID:
O75355
Molecular weight:
59104.76
Reactions
CDP + Water → Cytidine monophosphate + Phosphatedetails
Cytidine triphosphate + Water → CDP + Phosphatedetails
Enzyme Details
5. Nucleoside diphosphate kinase, mitochondrial
General function:
Involved in nucleoside diphosphate kinase activity
Specific function:
Major role in the synthesis of nucleoside triphosphates other than ATP (By similarity).
Gene Name:
NME4
Uniprot ID:
O00746
Molecular weight:
20658.45
Reactions
Adenosine triphosphate + CDP → ADP + Cytidine triphosphatedetails
Enzyme Details
6. Ribonucleoside-diphosphate reductase large subunit
General function:
Involved in oxidation reduction
Specific function:
Provides the precursors necessary for DNA synthesis. Catalyzes the biosynthesis of deoxyribonucleotides from the corresponding ribonucleotides.
Gene Name:
RRM1
Uniprot ID:
P23921
Molecular weight:
90069.375
Reactions
dCDP + Thioredoxin disulfide + Water → Thioredoxin + CDPdetails
Enzyme Details
7. Nucleoside diphosphate kinase A
General function:
Involved in nucleoside diphosphate kinase activity
Specific function:
Major role in the synthesis of nucleoside triphosphates other than ATP. Possesses nucleoside-diphosphate kinase, serine/threonine-specific protein kinase, geranyl and farnesyl pyrophosphate kinase, histidine protein kinase and 3'-5' exonuclease activities. Involved in cell proliferation, differentiation and development, signal transduction, G protein-coupled receptor endocytosis, and gene expression. Required for neural development including neural patterning and cell fate determination.
Gene Name:
NME1
Uniprot ID:
P15531
Molecular weight:
17148.635
Reactions
Adenosine triphosphate + CDP → ADP + Cytidine triphosphatedetails
Enzyme Details
8. Nucleoside diphosphate kinase 7
General function:
Involved in nucleoside diphosphate kinase activity
Specific function:
Major role in the synthesis of nucleoside triphosphates other than ATP. The ATP gamma phosphate is transferred to the NDP beta phosphate via a ping-pong mechanism, using a phosphorylated active-site intermediate.
Gene Name:
NME7
Uniprot ID:
Q9Y5B8
Molecular weight:
42491.365
Reactions
Adenosine triphosphate + CDP → ADP + Cytidine triphosphatedetails
Enzyme Details
9. Ribonucleoside-diphosphate reductase subunit M2
General function:
Involved in oxidoreductase activity
Specific function:
Provides the precursors necessary for DNA synthesis. Catalyzes the biosynthesis of deoxyribonucleotides from the corresponding ribonucleotides. Inhibits Wnt signaling.
Gene Name:
RRM2
Uniprot ID:
P31350
Molecular weight:
44877.25
Reactions
dCDP + Thioredoxin disulfide + Water → Thioredoxin + CDPdetails
Enzyme Details
10. Nucleoside diphosphate kinase B
General function:
Involved in nucleoside diphosphate kinase activity
Specific function:
Major role in the synthesis of nucleoside triphosphates other than ATP. Negatively regulates Rho activity by interacting with AKAP13/LBC. Acts as a transcriptional activator of the MYC gene; binds DNA non-specifically (PubMed:8392752). Exhibits histidine protein kinase activity.
Gene Name:
NME2
Uniprot ID:
P22392
Molecular weight:
30136.92
Reactions
Adenosine triphosphate + CDP → ADP + Cytidine triphosphatedetails

Only showing the first 10 proteins. There are 32 proteins in total.

Show all enzymes and transporters