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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-24 09:45:29 UTC
Update Date2021-09-24 09:45:29 UTC
HMDB IDHMDB0304435
Secondary Accession NumbersNone
Metabolite Identification
Common NameNADP+
DescriptionNadp+, also known as nicotinamide adenine dinucleotide phosphate or nadp, is a member of the class of compounds known as (5'->5')-dinucleotides (5'->5')-dinucleotides are dinucleotides where the two bases are connected via a (5'->5')-phosphodiester linkage. Nadp+ is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). Nadp+ can be found in a number of food items such as small-leaf linden, redcurrant, root vegetables, and fenugreek, which makes nadp+ a potential biomarker for the consumption of these food products. Nadp+ can be found primarily in blood, as well as throughout all human tissues. Nadp+ exists in all eukaryotes, ranging from yeast to humans. In humans, nadp+ is involved in several metabolic pathways, some of which include folate malabsorption, hereditary, carprofen action pathway, valdecoxib action pathway, and glutathione metabolism. Nadp+ is also involved in several metabolic disorders, some of which include monoamine oxidase-a deficiency (MAO-A), apparent mineralocorticoid excess syndrome, hyperprolinemia type I, and hyperphenylalaninemia due to dhpr-deficiency. Moreover, nadp+ is found to be associated with pellagra. Nicotinamide adenine dinucleotide phosphate, abbreviated NADP+ or, in older notation, TPN (triphosphopyridine nucleotide), is a cofactor used in anabolic reactions, such as lipid and nucleic acid synthesis, which require NADPH as a reducing agent .
Structure
Thumb
Synonyms
ValueSource
beta-Nicotinamide adenine dinucleotide phosphateChEBI
NADP+ChEBI
Nicotinamide adenine dinucleotide phosphateChEBI
Oxidized nicotinamide-adenine dinucleotide phosphateChEBI
TPNChEBI
Triphosphopyridine nucleotideChEBI
beta-NADP+Kegg
b-Nicotinamide adenine dinucleotide phosphateGenerator
b-Nicotinamide adenine dinucleotide phosphoric acidGenerator
beta-Nicotinamide adenine dinucleotide phosphoric acidGenerator
Β-nicotinamide adenine dinucleotide phosphateGenerator
Β-nicotinamide adenine dinucleotide phosphoric acidGenerator
Nicotinamide adenine dinucleotide phosphoric acidGenerator
Oxidized nicotinamide-adenine dinucleotide phosphoric acidGenerator
b-NADP+Generator
Β-nadp+Generator
Coenzyme IIMeSH
Dinucleotide phosphate, nicotinamide-adenineMeSH
NADPHMeSH
Nicotinamide-adenine dinucleotide phosphateMeSH
Nucleotide, triphosphopyridineMeSH
Phosphate, nicotinamide-adenine dinucleotideMeSH
Adenine-nicotinamide dinucleotide phosphateHMDB
b-NADPHMDB
b-TPNHMDB
beta-NADPHMDB
beta-TPNHMDB
Codehydrase IIHMDB
Codehydrogenase IIHMDB
Cozymase IIHMDB
NAD phosphateHMDB
Chemical FormulaC21H29N7O17P3
Average Molecular Weight744.4129
Monoisotopic Molecular Weight744.083277073
IUPAC Name1-[(2R,3R,4S,5R)-5-[({[({[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-3,4-dihydroxyoxolan-2-yl]-3-carbamoyl-1lambda5-pyridin-1-ylium
Traditional Name1-[(2R,3R,4S,5R)-5-{[({[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-3-carbamoyl-1lambda5-pyridin-1-ylium
CAS Registry NumberNot Available
SMILES
NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O
InChI Identifier
InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChI KeyXJLXINKUBYWONI-NNYOXOHSSA-O
Chemical Taxonomy
Description Belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentL-alpha-amino acids
Alternative Parents
Substituents
  • L-alpha-amino acid
  • Fatty acid
  • Hydroxamic acid
  • Amino acid
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Amine
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Organic nitrogen compound
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Carbonyl group
  • Organic oxide
  • Organopnictogen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Not Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-0.78ALOGPS
logP-10ChemAxon
logS-2.3ALOGPS
pKa (Strongest Acidic)0.66ChemAxon
pKa (Strongest Basic)4ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count17ChemAxon
Hydrogen Donor Count9ChemAxon
Polar Surface Area364.79 ŲChemAxon
Rotatable Bond Count13ChemAxon
Refractivity152.87 m³·mol⁻¹ChemAxon
Polarizability60.89 ųChemAxon
Number of Rings5ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
AllCCS[M+H]+239.3732859911
AllCCS[M+H-H2O]+239.07732859911
AllCCS[M+Na]+239.64932859911
AllCCS[M+NH4]+239.59432859911
AllCCS[M-H]-226.56332859911
AllCCS[M+Na-2H]-228.48932859911
AllCCS[M+HCOO]-230.72732859911
DeepCCS[M-2H]-257.00930932474
DeepCCS[M+Na]+231.00930932474

Predicted Kovats Retention Indices

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
NADP+,1TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1OP(=O)(O)O5816.7Semi standard non polar33892256
NADP+,1TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1OP(=O)(O)O5014.2Standard non polar33892256
NADP+,1TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1OP(=O)(O)O11343.1Standard polar33892256
NADP+,1TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@@H]1O5796.0Semi standard non polar33892256
NADP+,1TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@@H]1O4995.9Standard non polar33892256
NADP+,1TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@@H]1O11300.2Standard polar33892256
NADP+,1TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[C@H]1[N+]1=CC=CC(C(N)=O)=C15799.5Semi standard non polar33892256
NADP+,1TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[C@H]1[N+]1=CC=CC(C(N)=O)=C15009.1Standard non polar33892256
NADP+,1TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[C@H]1[N+]1=CC=CC(C(N)=O)=C111303.1Standard polar33892256
NADP+,1TMS,isomer #4C[Si](C)(C)O[P@](=O)(OC[C@H]1O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@H](O)[C@@H]1O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](OP(=O)(O)O)[C@@H]1O5875.3Semi standard non polar33892256
NADP+,1TMS,isomer #4C[Si](C)(C)O[P@](=O)(OC[C@H]1O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@H](O)[C@@H]1O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](OP(=O)(O)O)[C@@H]1O5118.1Standard non polar33892256
NADP+,1TMS,isomer #4C[Si](C)(C)O[P@](=O)(OC[C@H]1O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@H](O)[C@@H]1O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](OP(=O)(O)O)[C@@H]1O10969.8Standard polar33892256
NADP+,1TMS,isomer #5C[Si](C)(C)O[P@@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](OP(=O)(O)O)[C@@H]1O)O[P@](=O)(O)OC[C@H]1O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@H](O)[C@@H]1O5875.4Semi standard non polar33892256
NADP+,1TMS,isomer #5C[Si](C)(C)O[P@@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](OP(=O)(O)O)[C@@H]1O)O[P@](=O)(O)OC[C@H]1O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@H](O)[C@@H]1O5118.7Standard non polar33892256
NADP+,1TMS,isomer #5C[Si](C)(C)O[P@@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](OP(=O)(O)O)[C@@H]1O)O[P@](=O)(O)OC[C@H]1O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@H](O)[C@@H]1O10969.9Standard polar33892256
NADP+,1TMS,isomer #6C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)O[C@H]1N1C=NC2=C(N)N=CN=C215921.1Semi standard non polar33892256
NADP+,1TMS,isomer #6C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)O[C@H]1N1C=NC2=C(N)N=CN=C215111.8Standard non polar33892256
NADP+,1TMS,isomer #6C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)O[C@H]1N1C=NC2=C(N)N=CN=C2110906.6Standard polar33892256
NADP+,1TMS,isomer #7C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)=C15836.5Semi standard non polar33892256
NADP+,1TMS,isomer #7C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)=C15139.2Standard non polar33892256
NADP+,1TMS,isomer #7C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)=C111018.3Standard polar33892256
NADP+,1TMS,isomer #8C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O5862.6Semi standard non polar33892256
NADP+,1TMS,isomer #8C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O5122.5Standard non polar33892256
NADP+,1TMS,isomer #8C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O11034.2Standard polar33892256
NADP+,2TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1OP(=O)(O)O5627.2Semi standard non polar33892256
NADP+,2TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1OP(=O)(O)O4842.6Standard non polar33892256
NADP+,2TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1OP(=O)(O)O10654.3Standard polar33892256
NADP+,2TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@@H](CO[P@@](=O)(O)O[P@](=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[Si](C)(C)C)O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@@H]1O5681.5Semi standard non polar33892256
NADP+,2TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@@H](CO[P@@](=O)(O)O[P@](=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[Si](C)(C)C)O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@@H]1O4893.4Standard non polar33892256
NADP+,2TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@@H](CO[P@@](=O)(O)O[P@](=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[Si](C)(C)C)O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@@H]1O10359.4Standard polar33892256
NADP+,2TMS,isomer #11C[Si](C)(C)O[C@@H]1[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]2O)O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@@H]1O5725.1Semi standard non polar33892256
NADP+,2TMS,isomer #11C[Si](C)(C)O[C@@H]1[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]2O)O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@@H]1O4896.0Standard non polar33892256
NADP+,2TMS,isomer #11C[Si](C)(C)O[C@@H]1[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]2O)O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@@H]1O10314.3Standard polar33892256
NADP+,2TMS,isomer #12C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1OP(=O)(O)O5706.9Semi standard non polar33892256
NADP+,2TMS,isomer #12C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1OP(=O)(O)O4951.4Standard non polar33892256
NADP+,2TMS,isomer #12C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1OP(=O)(O)O10309.2Standard polar33892256
NADP+,2TMS,isomer #13C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)=C15692.5Semi standard non polar33892256
NADP+,2TMS,isomer #13C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)=C14959.0Standard non polar33892256
NADP+,2TMS,isomer #13C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)=C110252.3Standard polar33892256
NADP+,2TMS,isomer #14C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[C@H]1[N+]1=CC=CC(C(N)=O)=C15680.3Semi standard non polar33892256
NADP+,2TMS,isomer #14C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[C@H]1[N+]1=CC=CC(C(N)=O)=C14908.9Standard non polar33892256
NADP+,2TMS,isomer #14C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[C@H]1[N+]1=CC=CC(C(N)=O)=C110362.9Standard polar33892256
NADP+,2TMS,isomer #15C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@@](=O)(O)O[P@](=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[Si](C)(C)C)O[C@H]1[N+]1=CC=CC(C(N)=O)=C15679.6Semi standard non polar33892256
NADP+,2TMS,isomer #15C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@@](=O)(O)O[P@](=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[Si](C)(C)C)O[C@H]1[N+]1=CC=CC(C(N)=O)=C14910.1Standard non polar33892256
NADP+,2TMS,isomer #15C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@@](=O)(O)O[P@](=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[Si](C)(C)C)O[C@H]1[N+]1=CC=CC(C(N)=O)=C110362.9Standard polar33892256
NADP+,2TMS,isomer #16C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]2O)O[C@H]1[N+]1=CC=CC(C(N)=O)=C15722.3Semi standard non polar33892256
NADP+,2TMS,isomer #16C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]2O)O[C@H]1[N+]1=CC=CC(C(N)=O)=C14911.8Standard non polar33892256
NADP+,2TMS,isomer #16C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]2O)O[C@H]1[N+]1=CC=CC(C(N)=O)=C110318.6Standard polar33892256
NADP+,2TMS,isomer #17C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O5712.6Semi standard non polar33892256
NADP+,2TMS,isomer #17C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O4971.0Standard non polar33892256
NADP+,2TMS,isomer #17C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O10308.7Standard polar33892256
NADP+,2TMS,isomer #18C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)=C15697.4Semi standard non polar33892256
NADP+,2TMS,isomer #18C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)=C14981.5Standard non polar33892256
NADP+,2TMS,isomer #18C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)=C110252.7Standard polar33892256
NADP+,2TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O[Si](C)(C)C)O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@@H]1O5629.0Semi standard non polar33892256
NADP+,2TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O[Si](C)(C)C)O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@@H]1O4822.8Standard non polar33892256
NADP+,2TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O[Si](C)(C)C)O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@@H]1O10649.2Standard polar33892256
NADP+,2TMS,isomer #20C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C215805.0Semi standard non polar33892256
NADP+,2TMS,isomer #20C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C215012.9Standard non polar33892256
NADP+,2TMS,isomer #20C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C2110099.5Standard polar33892256
NADP+,2TMS,isomer #21C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](CO[P@@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)=C15776.8Semi standard non polar33892256
NADP+,2TMS,isomer #21C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](CO[P@@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)=C15065.9Standard non polar33892256
NADP+,2TMS,isomer #21C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](CO[P@@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)=C19965.9Standard polar33892256
NADP+,2TMS,isomer #22C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1OP(=O)(O)O5790.9Semi standard non polar33892256
NADP+,2TMS,isomer #22C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1OP(=O)(O)O5063.8Standard non polar33892256
NADP+,2TMS,isomer #22C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1OP(=O)(O)O10034.2Standard polar33892256
NADP+,2TMS,isomer #23C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)O[C@H]1N1C=NC2=C(N)N=CN=C215804.7Semi standard non polar33892256
NADP+,2TMS,isomer #23C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)O[C@H]1N1C=NC2=C(N)N=CN=C215013.0Standard non polar33892256
NADP+,2TMS,isomer #23C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)O[C@H]1N1C=NC2=C(N)N=CN=C2110099.5Standard polar33892256
NADP+,2TMS,isomer #24C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O5791.9Semi standard non polar33892256
NADP+,2TMS,isomer #24C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O5064.3Standard non polar33892256
NADP+,2TMS,isomer #24C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O10034.2Standard polar33892256
NADP+,2TMS,isomer #25C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@](=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](OP(=O)(O)O)[C@@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)=C15776.6Semi standard non polar33892256
NADP+,2TMS,isomer #25C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@](=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](OP(=O)(O)O)[C@@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)=C15066.5Standard non polar33892256
NADP+,2TMS,isomer #25C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@](=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](OP(=O)(O)O)[C@@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)=C19965.8Standard polar33892256
NADP+,2TMS,isomer #26C[Si](C)(C)OP(=O)(O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)O[C@H]1N1C=NC2=C(N)N=CN=C21)O[Si](C)(C)C5805.8Semi standard non polar33892256
NADP+,2TMS,isomer #26C[Si](C)(C)OP(=O)(O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)O[C@H]1N1C=NC2=C(N)N=CN=C21)O[Si](C)(C)C4996.9Standard non polar33892256
NADP+,2TMS,isomer #26C[Si](C)(C)OP(=O)(O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)O[C@H]1N1C=NC2=C(N)N=CN=C21)O[Si](C)(C)C10116.2Standard polar33892256
NADP+,2TMS,isomer #27C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]3O)[C@@H](O)[C@H]2O)=C15810.1Semi standard non polar33892256
NADP+,2TMS,isomer #27C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]3O)[C@@H](O)[C@H]2O)=C15067.1Standard non polar33892256
NADP+,2TMS,isomer #27C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]3O)[C@@H](O)[C@H]2O)=C19947.1Standard polar33892256
NADP+,2TMS,isomer #28C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O[Si](C)(C)C5812.7Semi standard non polar33892256
NADP+,2TMS,isomer #28C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O[Si](C)(C)C5062.3Standard non polar33892256
NADP+,2TMS,isomer #28C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O[Si](C)(C)C10014.4Standard polar33892256
NADP+,2TMS,isomer #29C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N[Si](C)(C)C)N=CN=C54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)=C15782.4Semi standard non polar33892256
NADP+,2TMS,isomer #29C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N[Si](C)(C)C)N=CN=C54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)=C15132.6Standard non polar33892256
NADP+,2TMS,isomer #29C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N[Si](C)(C)C)N=CN=C54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)=C19988.8Standard polar33892256
NADP+,2TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1OP(=O)(O)O5708.3Semi standard non polar33892256
NADP+,2TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1OP(=O)(O)O4927.7Standard non polar33892256
NADP+,2TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1OP(=O)(O)O10408.6Standard polar33892256
NADP+,2TMS,isomer #30C[Si](C)(C)N(C(=O)C1=CC=C[N+]([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)=C1)[Si](C)(C)C5745.8Semi standard non polar33892256
NADP+,2TMS,isomer #30C[Si](C)(C)N(C(=O)C1=CC=C[N+]([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)=C1)[Si](C)(C)C5059.6Standard non polar33892256
NADP+,2TMS,isomer #30C[Si](C)(C)N(C(=O)C1=CC=C[N+]([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)=C1)[Si](C)(C)C10402.2Standard polar33892256
NADP+,2TMS,isomer #31C[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O)[Si](C)(C)C5708.2Semi standard non polar33892256
NADP+,2TMS,isomer #31C[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O)[Si](C)(C)C5053.0Standard non polar33892256
NADP+,2TMS,isomer #31C[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O)[Si](C)(C)C10315.6Standard polar33892256
NADP+,2TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1OP(=O)(O)O5708.2Semi standard non polar33892256
NADP+,2TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1OP(=O)(O)O4927.4Standard non polar33892256
NADP+,2TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1OP(=O)(O)O10403.3Standard polar33892256
NADP+,2TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1OP(=O)(O)O[Si](C)(C)C5747.0Semi standard non polar33892256
NADP+,2TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1OP(=O)(O)O[Si](C)(C)C4932.3Standard non polar33892256
NADP+,2TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1OP(=O)(O)O[Si](C)(C)C10358.9Standard polar33892256
NADP+,2TMS,isomer #6C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](OP(=O)(O)O)[C@@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)=C15725.0Semi standard non polar33892256
NADP+,2TMS,isomer #6C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](OP(=O)(O)O)[C@@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)=C15004.9Standard non polar33892256
NADP+,2TMS,isomer #6C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](OP(=O)(O)O)[C@@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)=C110294.4Standard polar33892256
NADP+,2TMS,isomer #7C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1OP(=O)(O)O5734.3Semi standard non polar33892256
NADP+,2TMS,isomer #7C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1OP(=O)(O)O4991.6Standard non polar33892256
NADP+,2TMS,isomer #7C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1OP(=O)(O)O10351.0Standard polar33892256
NADP+,2TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@@H]1O[Si](C)(C)C5603.8Semi standard non polar33892256
NADP+,2TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@@H]1O[Si](C)(C)C4809.2Standard non polar33892256
NADP+,2TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@@H]1O[Si](C)(C)C10652.6Standard polar33892256
NADP+,2TMS,isomer #9C[Si](C)(C)O[C@@H]1[C@@H](CO[P@@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@@H]1O5682.4Semi standard non polar33892256
NADP+,2TMS,isomer #9C[Si](C)(C)O[C@@H]1[C@@H](CO[P@@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@@H]1O4892.9Standard non polar33892256
NADP+,2TMS,isomer #9C[Si](C)(C)O[C@@H]1[C@@H](CO[P@@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@@H]1O10364.7Standard polar33892256
NADP+,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1OP(=O)(O)O6017.6Semi standard non polar33892256
NADP+,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1OP(=O)(O)O5169.2Standard non polar33892256
NADP+,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1OP(=O)(O)O11088.4Standard polar33892256
NADP+,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@@H]1O6004.7Semi standard non polar33892256
NADP+,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@@H]1O5148.0Standard non polar33892256
NADP+,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@@H]1O11049.0Standard polar33892256
NADP+,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[C@H]1[N+]1=CC=CC(C(N)=O)=C16006.2Semi standard non polar33892256
NADP+,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[C@H]1[N+]1=CC=CC(C(N)=O)=C15161.1Standard non polar33892256
NADP+,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[C@H]1[N+]1=CC=CC(C(N)=O)=C111052.8Standard polar33892256
NADP+,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[P@](=O)(OC[C@H]1O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@H](O)[C@@H]1O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](OP(=O)(O)O)[C@@H]1O6089.4Semi standard non polar33892256
NADP+,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[P@](=O)(OC[C@H]1O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@H](O)[C@@H]1O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](OP(=O)(O)O)[C@@H]1O5211.2Standard non polar33892256
NADP+,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[P@](=O)(OC[C@H]1O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@H](O)[C@@H]1O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](OP(=O)(O)O)[C@@H]1O10900.8Standard polar33892256
NADP+,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[P@@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](OP(=O)(O)O)[C@@H]1O)O[P@](=O)(O)OC[C@H]1O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@H](O)[C@@H]1O6089.0Semi standard non polar33892256
NADP+,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[P@@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](OP(=O)(O)O)[C@@H]1O)O[P@](=O)(O)OC[C@H]1O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@H](O)[C@@H]1O5211.6Standard non polar33892256
NADP+,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[P@@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](OP(=O)(O)O)[C@@H]1O)O[P@](=O)(O)OC[C@H]1O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@H](O)[C@@H]1O10900.8Standard polar33892256
NADP+,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OP(=O)(O)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)O[C@H]1N1C=NC2=C(N)N=CN=C216116.7Semi standard non polar33892256
NADP+,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OP(=O)(O)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)O[C@H]1N1C=NC2=C(N)N=CN=C215202.2Standard non polar33892256
NADP+,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OP(=O)(O)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)O[C@H]1N1C=NC2=C(N)N=CN=C2110851.8Standard polar33892256
NADP+,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)=C16077.8Semi standard non polar33892256
NADP+,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)=C15224.9Standard non polar33892256
NADP+,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)=C110716.6Standard polar33892256
NADP+,1TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O6053.5Semi standard non polar33892256
NADP+,1TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O5255.3Standard non polar33892256
NADP+,1TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O10755.3Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - NADP+ GC-MS (Non-derivatized) - 70eV, Positivesplash10-056s-9231470300-9e17b00343fde5427c482017-11-06Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - NADP+ LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-00dl-0219003700-2f52e3c5db41066a112c2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - NADP+ LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-0uk9-0301009000-a3d0c464e56f6e320c802012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - NADP+ LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-00dl-0000090000-c18a7719161c63a719382012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - NADP+ LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-0udi-0000009000-1dde5b221786fe3753042012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - NADP+ LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-00dl-0209000700-02057593d6470f6a20752012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - NADP+ LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-0uk9-0301109000-bf4996084c09a91764892012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - NADP+ LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-0uk9-0301009000-b3e8d304dfdc4711e0ce2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - NADP+ LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-0udi-0000009000-384d275a638928dd40f12012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - NADP+ LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOFsplash10-00dl-0000229600-bd164bae0cc54f45b9612012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - NADP+ LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOFsplash10-004i-0027900000-25e0180b7638ed18e2072012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - NADP+ LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOFsplash10-0a4i-0011953000-c328377f842fac60b55e2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - NADP+ LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOFsplash10-00di-0000009000-0ec3670e706b086d382a2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - NADP+ LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOFsplash10-00dl-0000109700-df2a731fd5f55e9e7a8e2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - NADP+ LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOFsplash10-0a4i-0011953000-981d13d6b50f18ebc9102012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - NADP+ LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOFsplash10-00di-0000009000-f9526262833104be0a2e2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - NADP+ LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOFsplash10-00di-0000009000-c0cedd489befb20733702012-08-31HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - NADP+ 10V, Positive-QTOFsplash10-0002-1000000900-8e9739738c1e21ad0cfb2016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - NADP+ 20V, Positive-QTOFsplash10-000t-0000000900-5168590e47e1994b82e92016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - NADP+ 40V, Positive-QTOFsplash10-006y-2910001000-5066541857e9b5d8bbbf2016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - NADP+ 10V, Negative-QTOFsplash10-0006-1000000900-b0b6966dffa0668455c42016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - NADP+ 20V, Negative-QTOFsplash10-0007-7100000900-fb944feb508487f250a52016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - NADP+ 40V, Negative-QTOFsplash10-005a-9100000000-2fe9ef99497bf15191d12016-09-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Experimental 2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)2012-12-05Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB031054
KNApSAcK IDC00019545
Chemspider ID5675
KEGG Compound IDC00006
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound5886
PDB IDNot Available
ChEBI ID18009
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available