Hmdb loader
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2021-09-14 15:44:40 UTC
HMDB IDHMDB0000912
Secondary Accession Numbers
  • HMDB00912
Metabolite Identification
Common NameSuccinyladenosine
DescriptionSuccinyladenosine (SAdo) is one of the dephosphorylated enzyme substrate that accumulates in body fluids of patients with adenylosuccinate lyase (ADSL) deficiency, the other being 5-amino-4-imidazole-N-succinocarboxamide riboside (SAICAr). ADSL is an inherited metabolic disease characterized by various degrees of psychomotor retardation (PMID 15902552 ). The severity of the clinical presentation correlates with a low S-Ado/SAICAr ratio in body fluids (PMID: 15571235 ). Normally Succinyladenosine is not found in blood or CSF but may be detected in trace amounts in urine (OMIM 103050 ). Succinyladenosine is also found to be associated with fumarase deficiency, another inborn error of metabolism.
Structure
Data?1582752164
Synonyms
ValueSource
(S)-N-(1,2-Dicarboxyethyl)-adenosineChEBI
6-(1,2-Dicarboxyethylamino)-9-beta-D-ribofuranosylpurineChEBI
N-(9-beta-D-Ribofuranosyl-9H-purin-6-yl)-L-aspartic acidChEBI
N-9-Ribofuranosyl-9H-purin-6-yl-aspartic acidChEBI
SuccinoadenosineChEBI
6-(1,2-Dicarboxyethylamino)-9-b-D-ribofuranosylpurineGenerator
6-(1,2-Dicarboxyethylamino)-9-β-D-ribofuranosylpurineGenerator
N-(9-b-D-Ribofuranosyl-9H-purin-6-yl)-L-aspartateGenerator
N-(9-b-D-Ribofuranosyl-9H-purin-6-yl)-L-aspartic acidGenerator
N-(9-beta-D-Ribofuranosyl-9H-purin-6-yl)-L-aspartateGenerator
N-(9-Β-D-ribofuranosyl-9H-purin-6-yl)-L-aspartateGenerator
N-(9-Β-D-ribofuranosyl-9H-purin-6-yl)-L-aspartic acidGenerator
N-9-Ribofuranosyl-9H-purin-6-yl-aspartateGenerator
6-(1,2-Dicarboxyethylamino)-9-beta-delta-ribofuranosylpurineHMDB
N-(9-beta-delta-Ribofuranosyl-9H-purin-6-yl)-L-aspartateHMDB
N-(9-beta-delta-Ribofuranosyl-9H-purin-6-yl)-L-aspartic acidHMDB
Chemical FormulaC14H17N5O8
Average Molecular Weight383.3135
Monoisotopic Molecular Weight383.107712545
IUPAC Name(2S)-2-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}amino)butanedioic acid
Traditional Nameatp - adenosine triphosphate
CAS Registry Number4542-23-8
SMILES
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N[C@@H](CC(O)=O)C(O)=O)N=CN=C12
InChI Identifier
InChI=1S/C14H17N5O8/c20-2-6-9(23)10(24)13(27-6)19-4-17-8-11(15-3-16-12(8)19)18-5(14(25)26)1-7(21)22/h3-6,9-10,13,20,23-24H,1-2H2,(H,21,22)(H,25,26)(H,15,16,18)/t5-,6+,9+,10+,13+/m0/s1
InChI KeyVKGZCEJTCKHMRL-VWJPMABRSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as purine nucleosides. Purine nucleosides are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassPurine nucleosides
Sub ClassNot Available
Direct ParentPurine nucleosides
Alternative Parents
Substituents
  • Purine nucleoside
  • Aspartic acid or derivatives
  • Glycosyl compound
  • N-glycosyl compound
  • 6-alkylaminopurine
  • 6-aminopurine
  • Alpha-amino acid or derivatives
  • Pentose monosaccharide
  • L-alpha-amino acid
  • Imidazopyrimidine
  • Purine
  • Aminopyrimidine
  • Secondary aliphatic/aromatic amine
  • N-substituted imidazole
  • Monosaccharide
  • Pyrimidine
  • Dicarboxylic acid or derivatives
  • Imidolactam
  • Heteroaromatic compound
  • Imidazole
  • Tetrahydrofuran
  • Azole
  • Amino acid or derivatives
  • Secondary alcohol
  • Amino acid
  • Carboxylic acid derivative
  • Carboxylic acid
  • Oxacycle
  • Azacycle
  • Organoheterocyclic compound
  • Secondary amine
  • Organic oxygen compound
  • Alcohol
  • Organic nitrogen compound
  • Carbonyl group
  • Hydrocarbon derivative
  • Amine
  • Organopnictogen compound
  • Organic oxide
  • Primary alcohol
  • Organooxygen compound
  • Organonitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effect
Disposition
Process
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point233 - 238 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility7.62 g/LALOGPS
logP-1.3ALOGPS
logP-3.9ChemAxon
logS-1.7ALOGPS
pKa (Strongest Acidic)3.14ChemAxon
pKa (Strongest Basic)4.58ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area200.15 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity85.3 m³·mol⁻¹ChemAxon
Polarizability34.83 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+185.50531661259
DarkChem[M-H]-181.48631661259
AllCCS[M+H]+183.932859911
AllCCS[M-H]-182.53632859911
DeepCCS[M-2H]-207.42830932474
DeepCCS[M+Na]+182.85130932474
AllCCS[M+H]+183.932859911
AllCCS[M+H-H2O]+181.432859911
AllCCS[M+NH4]+186.232859911
AllCCS[M+Na]+186.932859911
AllCCS[M-H]-182.532859911
AllCCS[M+Na-2H]-182.232859911
AllCCS[M+HCOO]-181.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
SuccinyladenosineOC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N[C@@H](CC(O)=O)C(O)=O)N=CN=C124143.8Standard polar33892256
SuccinyladenosineOC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N[C@@H](CC(O)=O)C(O)=O)N=CN=C122573.2Standard non polar33892256
SuccinyladenosineOC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N[C@@H](CC(O)=O)C(O)=O)N=CN=C123573.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Succinyladenosine,1TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N[C@@H](CC(=O)O)C(=O)O)N=CN=C32)[C@H](O)[C@@H]1O3473.5Semi standard non polar33892256
Succinyladenosine,1TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(N[C@@H](CC(=O)O)C(=O)O)N=CN=C213474.6Semi standard non polar33892256
Succinyladenosine,1TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N[C@@H](CC(=O)O)C(=O)O)N=CN=C32)[C@@H]1O3483.6Semi standard non polar33892256
Succinyladenosine,1TMS,isomer #4C[Si](C)(C)OC(=O)C[C@H](NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(=O)O3425.4Semi standard non polar33892256
Succinyladenosine,1TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O3411.3Semi standard non polar33892256
Succinyladenosine,1TMS,isomer #6C[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[C@@H](CC(=O)O)C(=O)O3407.3Semi standard non polar33892256
Succinyladenosine,2TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N=CN=C32)[C@H](O)[C@@H]1O3314.2Semi standard non polar33892256
Succinyladenosine,2TMS,isomer #10C[Si](C)(C)OC(=O)C[C@H](NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O)C(=O)O3324.2Semi standard non polar33892256
Succinyladenosine,2TMS,isomer #11C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O3315.3Semi standard non polar33892256
Succinyladenosine,2TMS,isomer #12C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N=CN=C32)[C@@H]1O3346.3Semi standard non polar33892256
Succinyladenosine,2TMS,isomer #13C[Si](C)(C)OC(=O)C[C@H](NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(=O)O[Si](C)(C)C3293.1Semi standard non polar33892256
Succinyladenosine,2TMS,isomer #14C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[Si](C)(C)C3274.1Semi standard non polar33892256
Succinyladenosine,2TMS,isomer #15C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[Si](C)(C)C3268.6Semi standard non polar33892256
Succinyladenosine,2TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3299.2Semi standard non polar33892256
Succinyladenosine,2TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N[C@@H](CC(=O)O)C(=O)O)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3342.0Semi standard non polar33892256
Succinyladenosine,2TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N[C@@H](CC(=O)O)C(=O)O)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3340.0Semi standard non polar33892256
Succinyladenosine,2TMS,isomer #5C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3322.0Semi standard non polar33892256
Succinyladenosine,2TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N[C@@H](CC(=O)O)C(=O)O)N=CN=C32)[C@@H]1O[Si](C)(C)C3374.0Semi standard non polar33892256
Succinyladenosine,2TMS,isomer #7C[Si](C)(C)OC(=O)C[C@H](NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C)C(=O)O3313.8Semi standard non polar33892256
Succinyladenosine,2TMS,isomer #8C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C3302.2Semi standard non polar33892256
Succinyladenosine,2TMS,isomer #9C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N=CN=C213330.0Semi standard non polar33892256
Succinyladenosine,3TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3232.6Semi standard non polar33892256
Succinyladenosine,3TMS,isomer #10C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3241.9Semi standard non polar33892256
Succinyladenosine,3TMS,isomer #11C[Si](C)(C)OC(=O)C[C@H](NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)C(=O)O3238.1Semi standard non polar33892256
Succinyladenosine,3TMS,isomer #12C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3226.2Semi standard non polar33892256
Succinyladenosine,3TMS,isomer #13C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C3266.4Semi standard non polar33892256
Succinyladenosine,3TMS,isomer #14C[Si](C)(C)OC(=O)C[C@H](NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C3229.5Semi standard non polar33892256
Succinyladenosine,3TMS,isomer #15C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C3220.3Semi standard non polar33892256
Succinyladenosine,3TMS,isomer #16C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C3219.4Semi standard non polar33892256
Succinyladenosine,3TMS,isomer #17C[Si](C)(C)OC(=O)C[C@H](NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O)C(=O)O[Si](C)(C)C3232.5Semi standard non polar33892256
Succinyladenosine,3TMS,isomer #18C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C3235.1Semi standard non polar33892256
Succinyladenosine,3TMS,isomer #19C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C3234.2Semi standard non polar33892256
Succinyladenosine,3TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3218.4Semi standard non polar33892256
Succinyladenosine,3TMS,isomer #20C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[Si](C)(C)C3208.6Semi standard non polar33892256
Succinyladenosine,3TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3206.0Semi standard non polar33892256
Succinyladenosine,3TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3223.6Semi standard non polar33892256
Succinyladenosine,3TMS,isomer #5C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3199.5Semi standard non polar33892256
Succinyladenosine,3TMS,isomer #6C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3191.3Semi standard non polar33892256
Succinyladenosine,3TMS,isomer #7C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3218.2Semi standard non polar33892256
Succinyladenosine,3TMS,isomer #8C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N[C@@H](CC(=O)O)C(=O)O)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3260.0Semi standard non polar33892256
Succinyladenosine,3TMS,isomer #9C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3235.3Semi standard non polar33892256
Succinyladenosine,4TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3208.5Semi standard non polar33892256
Succinyladenosine,4TMS,isomer #10C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3216.2Semi standard non polar33892256
Succinyladenosine,4TMS,isomer #11C[Si](C)(C)OC(=O)C[C@H](NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C3207.4Semi standard non polar33892256
Succinyladenosine,4TMS,isomer #12C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C3190.4Semi standard non polar33892256
Succinyladenosine,4TMS,isomer #13C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C3192.7Semi standard non polar33892256
Succinyladenosine,4TMS,isomer #14C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C3208.2Semi standard non polar33892256
Succinyladenosine,4TMS,isomer #15C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C3212.9Semi standard non polar33892256
Succinyladenosine,4TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3206.2Semi standard non polar33892256
Succinyladenosine,4TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3201.2Semi standard non polar33892256
Succinyladenosine,4TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3177.8Semi standard non polar33892256
Succinyladenosine,4TMS,isomer #5C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3183.5Semi standard non polar33892256
Succinyladenosine,4TMS,isomer #6C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3176.2Semi standard non polar33892256
Succinyladenosine,4TMS,isomer #7C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3166.0Semi standard non polar33892256
Succinyladenosine,4TMS,isomer #8C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3180.3Semi standard non polar33892256
Succinyladenosine,4TMS,isomer #9C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3172.4Semi standard non polar33892256
Succinyladenosine,5TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3215.4Semi standard non polar33892256
Succinyladenosine,5TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3210.4Semi standard non polar33892256
Succinyladenosine,5TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3205.0Semi standard non polar33892256
Succinyladenosine,5TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3197.4Semi standard non polar33892256
Succinyladenosine,5TMS,isomer #5C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3206.3Semi standard non polar33892256
Succinyladenosine,5TMS,isomer #6C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C3220.9Semi standard non polar33892256
Succinyladenosine,6TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3239.5Semi standard non polar33892256
Succinyladenosine,6TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3107.1Standard non polar33892256
Succinyladenosine,6TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4004.2Standard polar33892256
Succinyladenosine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N[C@@H](CC(=O)O)C(=O)O)N=CN=C32)[C@H](O)[C@@H]1O3699.3Semi standard non polar33892256
Succinyladenosine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(N[C@@H](CC(=O)O)C(=O)O)N=CN=C213704.9Semi standard non polar33892256
Succinyladenosine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N[C@@H](CC(=O)O)C(=O)O)N=CN=C32)[C@@H]1O3709.5Semi standard non polar33892256
Succinyladenosine,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(=O)O3679.2Semi standard non polar33892256
Succinyladenosine,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O3661.1Semi standard non polar33892256
Succinyladenosine,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[C@@H](CC(=O)O)C(=O)O3623.9Semi standard non polar33892256
Succinyladenosine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N=CN=C32)[C@H](O)[C@@H]1O3791.3Semi standard non polar33892256
Succinyladenosine,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)C(=O)O3784.7Semi standard non polar33892256
Succinyladenosine,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O3770.4Semi standard non polar33892256
Succinyladenosine,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@@H]1O3783.8Semi standard non polar33892256
Succinyladenosine,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(=O)O[Si](C)(C)C(C)(C)C3746.9Semi standard non polar33892256
Succinyladenosine,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C3747.3Semi standard non polar33892256
Succinyladenosine,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C3722.8Semi standard non polar33892256
Succinyladenosine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3773.7Semi standard non polar33892256
Succinyladenosine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N[C@@H](CC(=O)O)C(=O)O)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3798.5Semi standard non polar33892256
Succinyladenosine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N[C@@H](CC(=O)O)C(=O)O)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3790.1Semi standard non polar33892256
Succinyladenosine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3762.8Semi standard non polar33892256
Succinyladenosine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N[C@@H](CC(=O)O)C(=O)O)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C3806.4Semi standard non polar33892256
Succinyladenosine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)C(=O)O3774.0Semi standard non polar33892256
Succinyladenosine,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C3761.4Semi standard non polar33892256
Succinyladenosine,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)N=CN=C213775.0Semi standard non polar33892256
Succinyladenosine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3866.3Semi standard non polar33892256
Succinyladenosine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3893.6Semi standard non polar33892256
Succinyladenosine,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)C(=O)O3865.5Semi standard non polar33892256
Succinyladenosine,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3862.3Semi standard non polar33892256
Succinyladenosine,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C3912.5Semi standard non polar33892256
Succinyladenosine,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3854.5Semi standard non polar33892256
Succinyladenosine,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3885.3Semi standard non polar33892256
Succinyladenosine,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3872.3Semi standard non polar33892256
Succinyladenosine,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)C(=O)O[Si](C)(C)C(C)(C)C3863.2Semi standard non polar33892256
Succinyladenosine,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C3891.5Semi standard non polar33892256
Succinyladenosine,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C3880.4Semi standard non polar33892256
Succinyladenosine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3869.1Semi standard non polar33892256
Succinyladenosine,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C3851.6Semi standard non polar33892256
Succinyladenosine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3863.8Semi standard non polar33892256
Succinyladenosine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3888.2Semi standard non polar33892256
Succinyladenosine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3868.1Semi standard non polar33892256
Succinyladenosine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3860.0Semi standard non polar33892256
Succinyladenosine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3872.2Semi standard non polar33892256
Succinyladenosine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N[C@@H](CC(=O)O)C(=O)O)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3880.3Semi standard non polar33892256
Succinyladenosine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3897.7Semi standard non polar33892256
Succinyladenosine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3991.6Semi standard non polar33892256
Succinyladenosine,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4004.4Semi standard non polar33892256
Succinyladenosine,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3986.7Semi standard non polar33892256
Succinyladenosine,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3976.4Semi standard non polar33892256
Succinyladenosine,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3985.4Semi standard non polar33892256
Succinyladenosine,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3973.0Semi standard non polar33892256
Succinyladenosine,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C3964.7Semi standard non polar33892256
Succinyladenosine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3984.8Semi standard non polar33892256
Succinyladenosine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3970.1Semi standard non polar33892256
Succinyladenosine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3998.9Semi standard non polar33892256
Succinyladenosine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3981.9Semi standard non polar33892256
Succinyladenosine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3973.0Semi standard non polar33892256
Succinyladenosine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3999.7Semi standard non polar33892256
Succinyladenosine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3990.7Semi standard non polar33892256
Succinyladenosine,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3981.3Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Succinyladenosine GC-MS (Non-derivatized) - 70eV, Positivesplash10-0l6r-8129000000-a61f85c8b0714ae949d32017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Succinyladenosine GC-MS (4 TMS) - 70eV, Positivesplash10-0ac0-9610066000-c7055bad2597f21774ee2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Succinyladenosine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Succinyladenosine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Succinyladenosine GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Succinyladenosine GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Succinyladenosine GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Succinyladenosine GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Succinyladenosine GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Succinyladenosine GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Succinyladenosine GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Succinyladenosine GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Succinyladenosine GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Succinyladenosine GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Succinyladenosine GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Succinyladenosine GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Succinyladenosine GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Succinyladenosine GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Succinyladenosine GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Succinyladenosine GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Succinyladenosine GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Succinyladenosine GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Succinyladenosine GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Succinyladenosine GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Succinyladenosine GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Succinyladenosine 10V, Positive-QTOFsplash10-0f89-0096000000-9b81fa7e1337be93a9f32016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Succinyladenosine 20V, Positive-QTOFsplash10-0ue9-0291000000-44075e8e93da0ec9d2f42016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Succinyladenosine 40V, Positive-QTOFsplash10-0ue9-1490000000-a88e52cec6ba273802892016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Succinyladenosine 10V, Negative-QTOFsplash10-0f89-0179000000-ce2528c4b8d13111f4982016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Succinyladenosine 20V, Negative-QTOFsplash10-0udi-0191000000-17fff23d0573f012bc9d2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Succinyladenosine 40V, Negative-QTOFsplash10-0zgi-1290000000-dc5ba463b978c4180aab2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Succinyladenosine 10V, Positive-QTOFsplash10-001i-0029000000-a86f22f01d7c9a4171872021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Succinyladenosine 20V, Positive-QTOFsplash10-001i-0197000000-9173ddda3c1193d490212021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Succinyladenosine 40V, Positive-QTOFsplash10-0019-0950000000-ec04fb75a306974e5dd72021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Succinyladenosine 10V, Negative-QTOFsplash10-03e9-0019000000-9f98332b939a6b04fe162021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Succinyladenosine 20V, Negative-QTOFsplash10-0kai-2169000000-a669a9e825855e307f252021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Succinyladenosine 40V, Negative-QTOFsplash10-001i-3790000000-751176ffe8aead5db9102021-09-25Wishart 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
  • Cytoplasm (predicted from logP)
Biospecimen Locations
  • Blood
  • Cerebrospinal Fluid (CSF)
  • Urine
Tissue Locations
  • Placenta
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
UrineDetected and Quantified0-34.6 umol/mmol creatinineAdult (>18 years old)Not Specified
Normal
details
UrineDetected and Quantified0-30.2 umol/mmol creatinineInfant (0-1 year old)Not Specified
Normal
details
UrineDetected and Quantified<5 umol/mmol creatinineAdult (>18 years old)BothNormal
    • Physician's Guide...
details
UrineDetected and Quantified<5 umol/mmol creatinineInfant (0-1 year old)MaleNormal details
UrineDetected and Quantified0-21 umol/mmol creatinineChildren (1 - 18 years old)Both
Normal
    • BC Children's Hos...
details
UrineDetected and Quantified<0.5 umol/mmol creatinineInfant (0-1 year old)Both
Normal
details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified7.1 +/- 5.2 uMInfant (0-1 year old)BothSevere psychomotor delay and autism details
Cerebrospinal Fluid (CSF)Detected and Quantified477.0 uMAdult (>18 years old)Not SpecifiedAdenylosuccinate lyase deficiency details
UrineDetected and Quantified96.6-281.9 umol/mmol creatinineInfant (0-1 year old)Both
Adenylosuccinase deficiency
details
UrineDetected and Quantified14.6 umol/mmol creatinineInfant (0-1 year old)MaleFumarase deficiency details
UrineDetected and Quantified14.200-24.400 umol/mmol creatinineInfant (0-1 year old)MaleFumarase deficiency details
UrineDetected and Quantified101-188 umol/mmol creatinineAdult (>18 years old)BothAdenylosuccinate lyase (ASDL) deficiency details
Associated Disorders and Diseases
Disease References
Autism
  1. Jaeken J, Van den Berghe G: An infantile autistic syndrome characterised by the presence of succinylpurines in body fluids. Lancet. 1984 Nov 10;2(8411):1058-61. [PubMed:6150139 ]
Adenylosuccinate lyase deficiency
  1. Marinaki AM, Champion M, Kurian MA, Simmonds HA, Marie S, Vincent MF, van den Berghe G, Duley JA, Fairbanks LD: Adenylosuccinate lyase deficiency--first British case. Nucleosides Nucleotides Nucleic Acids. 2004 Oct;23(8-9):1231-3. [PubMed:15571235 ]
  2. Wevers RA, Engelke UF, Moolenaar SH, Brautigam C, de Jong JG, Duran R, de Abreu RA, van Gennip AH: 1H-NMR spectroscopy of body fluids: inborn errors of purine and pyrimidine metabolism. Clin Chem. 1999 Apr;45(4):539-48. [PubMed:10102915 ]
  3. Donti TR, Cappuccio G, Hubert L, Neira J, Atwal PS, Miller MJ, Cardon AL, Sutton VR, Porter BE, Baumer FM, Wangler MF, Sun Q, Emrick LT, Elsea SH: Diagnosis of adenylosuccinate lyase deficiency by metabolomic profiling in plasma reveals a phenotypic spectrum. Mol Genet Metab Rep. 2016 Jul 27;8:61-6. doi: 10.1016/j.ymgmr.2016.07.007. eCollection 2016 Sep. [PubMed:27504266 ]
Fumarase deficiency
  1. Tregoning S, Salter W, Thorburn DR, Durkie M, Panayi M, Wu JY, Easterbrook A, Coman DJ: Fumarase deficiency in dichorionic diamniotic twins. Twin Res Hum Genet. 2013 Dec;16(6):1117-20. doi: 10.1017/thg.2013.72. Epub 2013 Nov 4. [PubMed:24182348 ]
Associated OMIM IDs
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB022314
KNApSAcK IDNot Available
Chemspider ID17216022
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN ID5867
PubChem Compound20849086
PDB IDNot Available
ChEBI ID71169
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDMDB00000282
Good Scents IDNot Available
References
Synthesis ReferenceBuck, Ildiko; Reese, Colin B. An unambiguous synthesis of adenylosuccinic acid and its constituent nucleoside. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) (1990), (11), 2937-42.
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Marinaki AM, Champion M, Kurian MA, Simmonds HA, Marie S, Vincent MF, van den Berghe G, Duley JA, Fairbanks LD: Adenylosuccinate lyase deficiency--first British case. Nucleosides Nucleotides Nucleic Acids. 2004 Oct;23(8-9):1231-3. [PubMed:15571235 ]
  2. Tsuchiya H, Hayashi T, Tatsumi M, Hoshino Y, Ohtani S, Takagi N: High-performance liquid-chromatographic analysis for serotonin and tryptamine excreted in urine after oral loading with L-tryptophan. Clin Chem. 1989 Jan;35(1):43-7. [PubMed:2910580 ]
  3. Zikanova M, Krijt J, Hartmannova H, Kmoch S: Preparation of 5-amino-4-imidazole-N-succinocarboxamide ribotide, 5-amino-4-imidazole-N-succinocarboxamide riboside and succinyladenosine, compounds usable in diagnosis and research of adenylosuccinate lyase deficiency. J Inherit Metab Dis. 2005;28(4):493-9. [PubMed:15902552 ]
  4. Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]