Hmdb loader
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:33:19 UTC
Update Date2022-03-07 02:52:20 UTC
HMDB IDHMDB0029895
Secondary Accession Numbers
  • HMDB29895
Metabolite Identification
Common NameD-erythro-Eritadenine
DescriptionD-erythro-Eritadenine, also known as D-eritadenine or D-erythro-form, belongs to the class of organic compounds known as 6-aminopurines. These are purines that carry an amino group at position 6. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring. Based on a literature review very few articles have been published on D-erythro-Eritadenine.
Structure
Data?1563861907
Synonyms
ValueSource
4-(6-Amino-9H-purin-9-yl)-4-deoxy-D-erythronic acidHMDB
6-Amino-alpha,beta-dihydroxy-9H-purine-9-butanoic acidHMDB
D-4-(6-Amino-9H-purin-9-yl)-4-deoxyerythronic acidHMDB
D-EritadenineHMDB
D-Erythro-formHMDB
DEAHMDB
EritadenineHMDB
LentinacinHMDB
LentysineHMDB
Eritadenine, (R-(r*,s*))-isomerHMDB
Eritadenine, (S-(r*,r*))-isomerHMDB
Eritadenine, (S-(r*,s*))-isomerHMDB
Eritadenine, monosodium salt, (R-(r*,r*))-isomerHMDB
Eritadenine, monosodium salt, (S-(r*,r*))-isomerHMDB
4-(6-Amino-9H-purin-9-yl)-2,3-dihydroxybutanoateHMDB
Chemical FormulaC9H11N5O4
Average Molecular Weight253.2147
Monoisotopic Molecular Weight253.081103865
IUPAC Name4-(6-amino-9H-purin-9-yl)-2,3-dihydroxybutanoic acid
Traditional NameD-eritadenine
CAS Registry Number23918-98-1
SMILES
NC1=NC=NC2=C1N=CN2CC(O)C(O)C(O)=O
InChI Identifier
InChI=1S/C9H11N5O4/c10-7-5-8(12-2-11-7)14(3-13-5)1-4(15)6(16)9(17)18/h2-4,6,15-16H,1H2,(H,17,18)(H2,10,11,12)
InChI KeyLIEMBEWXEZJEEZ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 6-aminopurines. These are purines that carry an amino group at position 6. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassImidazopyrimidines
Sub ClassPurines and purine derivatives
Direct Parent6-aminopurines
Alternative Parents
Substituents
  • 6-aminopurine
  • Aminopyrimidine
  • Beta-hydroxy acid
  • Sugar acid
  • Alpha-hydroxy acid
  • Hydroxy acid
  • Monosaccharide
  • N-substituted imidazole
  • Pyrimidine
  • Imidolactam
  • Heteroaromatic compound
  • Azole
  • Imidazole
  • Secondary alcohol
  • Amino acid
  • Amino acid or derivatives
  • 1,2-diol
  • Azacycle
  • Monocarboxylic acid or derivatives
  • Carboxylic acid derivative
  • Carboxylic acid
  • Amine
  • Organic nitrogen compound
  • Carbonyl group
  • Organopnictogen compound
  • Alcohol
  • Organic oxygen compound
  • Organic oxide
  • Organonitrogen compound
  • Organooxygen compound
  • Primary amine
  • Hydrocarbon derivative
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point261 - 263 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility24060 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility9.78 g/LALOGPS
logP-1.7ALOGPS
logP-3.4ChemAxon
logS-1.4ALOGPS
pKa (Strongest Acidic)3.26ChemAxon
pKa (Strongest Basic)5.13ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area147.38 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity59.58 m³·mol⁻¹ChemAxon
Polarizability22.88 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+157.75231661259
DarkChem[M-H]-153.64831661259
DeepCCS[M+H]+148.87730932474
DeepCCS[M-H]-146.51930932474
DeepCCS[M-2H]-180.29330932474
DeepCCS[M+Na]+155.19130932474
AllCCS[M+H]+155.832859911
AllCCS[M+H-H2O]+152.332859911
AllCCS[M+NH4]+159.132859911
AllCCS[M+Na]+160.132859911
AllCCS[M-H]-154.132859911
AllCCS[M+Na-2H]-153.832859911
AllCCS[M+HCOO]-153.632859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
D-erythro-EritadenineNC1=NC=NC2=C1N=CN2CC(O)C(O)C(O)=O3274.0Standard polar33892256
D-erythro-EritadenineNC1=NC=NC2=C1N=CN2CC(O)C(O)C(O)=O2095.3Standard non polar33892256
D-erythro-EritadenineNC1=NC=NC2=C1N=CN2CC(O)C(O)C(O)=O2600.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
D-erythro-Eritadenine,1TMS,isomer #1C[Si](C)(C)OC(CN1C=NC2=C(N)N=CN=C21)C(O)C(=O)O2673.8Semi standard non polar33892256
D-erythro-Eritadenine,1TMS,isomer #2C[Si](C)(C)OC(C(=O)O)C(O)CN1C=NC2=C(N)N=CN=C212678.4Semi standard non polar33892256
D-erythro-Eritadenine,1TMS,isomer #3C[Si](C)(C)OC(=O)C(O)C(O)CN1C=NC2=C(N)N=CN=C212660.7Semi standard non polar33892256
D-erythro-Eritadenine,1TMS,isomer #4C[Si](C)(C)NC1=NC=NC2=C1N=CN2CC(O)C(O)C(=O)O2779.8Semi standard non polar33892256
D-erythro-Eritadenine,2TMS,isomer #1C[Si](C)(C)OC(CN1C=NC2=C(N)N=CN=C21)C(O[Si](C)(C)C)C(=O)O2589.2Semi standard non polar33892256
D-erythro-Eritadenine,2TMS,isomer #2C[Si](C)(C)OC(=O)C(O)C(CN1C=NC2=C(N)N=CN=C21)O[Si](C)(C)C2559.9Semi standard non polar33892256
D-erythro-Eritadenine,2TMS,isomer #3C[Si](C)(C)NC1=NC=NC2=C1N=CN2CC(O[Si](C)(C)C)C(O)C(=O)O2639.9Semi standard non polar33892256
D-erythro-Eritadenine,2TMS,isomer #4C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)CN1C=NC2=C(N)N=CN=C212585.0Semi standard non polar33892256
D-erythro-Eritadenine,2TMS,isomer #5C[Si](C)(C)NC1=NC=NC2=C1N=CN2CC(O)C(O[Si](C)(C)C)C(=O)O2664.1Semi standard non polar33892256
D-erythro-Eritadenine,2TMS,isomer #6C[Si](C)(C)NC1=NC=NC2=C1N=CN2CC(O)C(O)C(=O)O[Si](C)(C)C2627.5Semi standard non polar33892256
D-erythro-Eritadenine,2TMS,isomer #7C[Si](C)(C)N(C1=NC=NC2=C1N=CN2CC(O)C(O)C(=O)O)[Si](C)(C)C2702.0Semi standard non polar33892256
D-erythro-Eritadenine,3TMS,isomer #1C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(CN1C=NC2=C(N)N=CN=C21)O[Si](C)(C)C2510.4Semi standard non polar33892256
D-erythro-Eritadenine,3TMS,isomer #2C[Si](C)(C)NC1=NC=NC2=C1N=CN2CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O2571.5Semi standard non polar33892256
D-erythro-Eritadenine,3TMS,isomer #3C[Si](C)(C)NC1=NC=NC2=C1N=CN2CC(O[Si](C)(C)C)C(O)C(=O)O[Si](C)(C)C2547.9Semi standard non polar33892256
D-erythro-Eritadenine,3TMS,isomer #4C[Si](C)(C)OC(CN1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21)C(O)C(=O)O2602.0Semi standard non polar33892256
D-erythro-Eritadenine,3TMS,isomer #5C[Si](C)(C)NC1=NC=NC2=C1N=CN2CC(O)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C2569.0Semi standard non polar33892256
D-erythro-Eritadenine,3TMS,isomer #6C[Si](C)(C)OC(C(=O)O)C(O)CN1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C212611.9Semi standard non polar33892256
D-erythro-Eritadenine,3TMS,isomer #7C[Si](C)(C)OC(=O)C(O)C(O)CN1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C212581.6Semi standard non polar33892256
D-erythro-Eritadenine,4TMS,isomer #1C[Si](C)(C)NC1=NC=NC2=C1N=CN2CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C2561.8Semi standard non polar33892256
D-erythro-Eritadenine,4TMS,isomer #1C[Si](C)(C)NC1=NC=NC2=C1N=CN2CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C2533.0Standard non polar33892256
D-erythro-Eritadenine,4TMS,isomer #2C[Si](C)(C)OC(CN1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21)C(O[Si](C)(C)C)C(=O)O2575.0Semi standard non polar33892256
D-erythro-Eritadenine,4TMS,isomer #2C[Si](C)(C)OC(CN1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21)C(O[Si](C)(C)C)C(=O)O2616.6Standard non polar33892256
D-erythro-Eritadenine,4TMS,isomer #3C[Si](C)(C)OC(=O)C(O)C(CN1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21)O[Si](C)(C)C2576.0Semi standard non polar33892256
D-erythro-Eritadenine,4TMS,isomer #3C[Si](C)(C)OC(=O)C(O)C(CN1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21)O[Si](C)(C)C2593.7Standard non polar33892256
D-erythro-Eritadenine,4TMS,isomer #4C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)CN1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C212589.6Semi standard non polar33892256
D-erythro-Eritadenine,4TMS,isomer #4C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)CN1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C212600.7Standard non polar33892256
D-erythro-Eritadenine,5TMS,isomer #1C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(CN1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21)O[Si](C)(C)C2604.0Semi standard non polar33892256
D-erythro-Eritadenine,5TMS,isomer #1C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(CN1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21)O[Si](C)(C)C2607.9Standard non polar33892256
D-erythro-Eritadenine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(CN1C=NC2=C(N)N=CN=C21)C(O)C(=O)O2957.5Semi standard non polar33892256
D-erythro-Eritadenine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(C(=O)O)C(O)CN1C=NC2=C(N)N=CN=C212956.4Semi standard non polar33892256
D-erythro-Eritadenine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O)CN1C=NC2=C(N)N=CN=C212930.1Semi standard non polar33892256
D-erythro-Eritadenine,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2CC(O)C(O)C(=O)O3020.6Semi standard non polar33892256
D-erythro-Eritadenine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(CN1C=NC2=C(N)N=CN=C21)C(O[Si](C)(C)C(C)(C)C)C(=O)O3079.0Semi standard non polar33892256
D-erythro-Eritadenine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(O)C(CN1C=NC2=C(N)N=CN=C21)O[Si](C)(C)C(C)(C)C3045.7Semi standard non polar33892256
D-erythro-Eritadenine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2CC(O[Si](C)(C)C(C)(C)C)C(O)C(=O)O3094.4Semi standard non polar33892256
D-erythro-Eritadenine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O)CN1C=NC2=C(N)N=CN=C213049.3Semi standard non polar33892256
D-erythro-Eritadenine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2CC(O)C(O[Si](C)(C)C(C)(C)C)C(=O)O3092.5Semi standard non polar33892256
D-erythro-Eritadenine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2CC(O)C(O)C(=O)O[Si](C)(C)C(C)(C)C3070.3Semi standard non polar33892256
D-erythro-Eritadenine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N(C1=NC=NC2=C1N=CN2CC(O)C(O)C(=O)O)[Si](C)(C)C(C)(C)C3149.1Semi standard non polar33892256
D-erythro-Eritadenine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(CN1C=NC2=C(N)N=CN=C21)O[Si](C)(C)C(C)(C)C3181.5Semi standard non polar33892256
D-erythro-Eritadenine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2CC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O3205.1Semi standard non polar33892256
D-erythro-Eritadenine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2CC(O[Si](C)(C)C(C)(C)C)C(O)C(=O)O[Si](C)(C)C(C)(C)C3185.0Semi standard non polar33892256
D-erythro-Eritadenine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(CN1C=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C21)C(O)C(=O)O3229.5Semi standard non polar33892256
D-erythro-Eritadenine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2CC(O)C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3179.9Semi standard non polar33892256
D-erythro-Eritadenine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(C(=O)O)C(O)CN1C=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C213224.7Semi standard non polar33892256
D-erythro-Eritadenine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O)CN1C=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C213213.1Semi standard non polar33892256
D-erythro-Eritadenine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2CC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3343.0Semi standard non polar33892256
D-erythro-Eritadenine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2CC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3368.4Standard non polar33892256
D-erythro-Eritadenine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(CN1C=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C21)C(O[Si](C)(C)C(C)(C)C)C(=O)O3351.5Semi standard non polar33892256
D-erythro-Eritadenine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(CN1C=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C21)C(O[Si](C)(C)C(C)(C)C)C(=O)O3408.0Standard non polar33892256
D-erythro-Eritadenine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(O)C(CN1C=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C21)O[Si](C)(C)C(C)(C)C3330.6Semi standard non polar33892256
D-erythro-Eritadenine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(O)C(CN1C=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C21)O[Si](C)(C)C(C)(C)C3429.6Standard non polar33892256
D-erythro-Eritadenine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O)CN1C=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C213332.9Semi standard non polar33892256
D-erythro-Eritadenine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O)CN1C=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C213419.8Standard non polar33892256
D-erythro-Eritadenine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(CN1C=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C21)O[Si](C)(C)C(C)(C)C3483.3Semi standard non polar33892256
D-erythro-Eritadenine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(CN1C=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C21)O[Si](C)(C)C(C)(C)C3584.0Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - D-erythro-Eritadenine GC-MS (Non-derivatized) - 70eV, Positivesplash10-00ba-9840000000-8949541137318be09e5d2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-erythro-Eritadenine GC-MS (3 TMS) - 70eV, Positivesplash10-0udi-6349300000-1aee357820c029208a512017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-erythro-Eritadenine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-erythro-Eritadenine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-erythro-Eritadenine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-erythro-Eritadenine GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-erythro-Eritadenine GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-erythro-Eritadenine GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-erythro-Eritadenine GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-erythro-Eritadenine GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-erythro-Eritadenine GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-erythro-Eritadenine GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-erythro-Eritadenine GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-erythro-Eritadenine GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-erythro-Eritadenine GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-erythro-Eritadenine GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-erythro-Eritadenine GC-MS (TMS_3_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-erythro-Eritadenine GC-MS (TMS_3_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-erythro-Eritadenine GC-MS (TMS_3_4) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-erythro-Eritadenine GC-MS (TMS_3_5) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-erythro-Eritadenine GC-MS (TMS_3_6) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-erythro-Eritadenine GC-MS (TMS_3_7) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-erythro-Eritadenine GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-erythro-Eritadenine GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-erythro-Eritadenine GC-MS (TBDMS_1_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-erythro-Eritadenine 10V, Positive-QTOFsplash10-0f79-0090000000-e690b283a4a756df94932015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-erythro-Eritadenine 20V, Positive-QTOFsplash10-000i-0970000000-55e0ea2279f0ffad12c32015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-erythro-Eritadenine 40V, Positive-QTOFsplash10-000i-2900000000-4ecf3a4a52ab72994a0d2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-erythro-Eritadenine 10V, Positive-QTOFsplash10-0f79-0090000000-e690b283a4a756df94932015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-erythro-Eritadenine 20V, Positive-QTOFsplash10-000i-0970000000-55e0ea2279f0ffad12c32015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-erythro-Eritadenine 40V, Positive-QTOFsplash10-000i-2900000000-4ecf3a4a52ab72994a0d2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-erythro-Eritadenine 10V, Negative-QTOFsplash10-0pc0-1290000000-bcd7490171b5d0dda8f52015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-erythro-Eritadenine 20V, Negative-QTOFsplash10-001i-0910000000-f520c1fe16b14283763d2015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-erythro-Eritadenine 40V, Negative-QTOFsplash10-001i-2900000000-3638fda929f585333aea2015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-erythro-Eritadenine 10V, Negative-QTOFsplash10-0pc0-1290000000-bcd7490171b5d0dda8f52015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-erythro-Eritadenine 20V, Negative-QTOFsplash10-001i-0910000000-f520c1fe16b14283763d2015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-erythro-Eritadenine 40V, Negative-QTOFsplash10-001i-2900000000-3638fda929f585333aea2015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-erythro-Eritadenine 10V, Positive-QTOFsplash10-0udr-0290000000-76f9de49e8841c6d21a32021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-erythro-Eritadenine 20V, Positive-QTOFsplash10-000i-0920000000-065d4dc261588f0333292021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-erythro-Eritadenine 40V, Positive-QTOFsplash10-0670-1900000000-23362574b86ff2a97ecd2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-erythro-Eritadenine 10V, Negative-QTOFsplash10-001i-0900000000-8af7c8a747bd9307eaca2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-erythro-Eritadenine 20V, Negative-QTOFsplash10-001i-0900000000-e8f5c98058bbcbca99522021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-erythro-Eritadenine 40V, Negative-QTOFsplash10-053r-1900000000-283c42d76e8fa4bffc132021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
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 IDFDB001137
KNApSAcK IDC00051233
Chemspider ID2830
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound2933
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1811991
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Enzymes

General function:
Involved in adenosylhomocysteinase activity
Specific function:
Adenosylhomocysteine is a competitive inhibitor of S-adenosyl-L-methionine-dependent methyl transferase reactions; therefore adenosylhomocysteinase may play a key role in the control of methylations via regulation of the intracellular concentration of adenosylhomocysteine.
Gene Name:
AHCY
Uniprot ID:
P23526
Molecular weight:
47715.715
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284 ]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423 ]
  3. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235 ]