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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2008-10-16 22:32:30 UTC
Update Date2021-09-14 15:19:50 UTC
HMDB IDHMDB0011117
Secondary Accession Numbers
  • HMDB11117
Metabolite Identification
Common NameSe-Adenosylselenohomocysteine
DescriptionSe-Adenosylselenohomocysteine belongs to the class of organic compounds known as 5'-deoxyribonucleosides. These are nucleosides in which the oxygen atom at the 5'position of the ribose moiety has been replaced by another atom. The nucleobases here are limited to purine, pyrimidine, and pyridine derivatives. Se-Adenosylselenohomocysteine is a very strong basic compound (based on its pKa). Within humans, se-adenosylselenohomocysteine participates in a number of enzymatic reactions. In particular, se-adenosylselenohomocysteine can be converted into selenohomocysteine and adenosine through its interaction with the enzyme adenosylhomocysteinase. In addition, se-adenosylselenohomocysteine can be biosynthesized from se-adenosylselenomethionine; which is mediated by the enzyme methyltransferase-like protein 6. In humans, se-adenosylselenohomocysteine is involved in selenoamino acid metabolism.
Structure
Data?1582752869
SynonymsNot Available
Chemical FormulaC14H20N6O5Se
Average Molecular Weight431.31
Monoisotopic Molecular Weight432.066039608
IUPAC Name2-amino-4-({[(2S,3S,4R,5S)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}selanyl)butanoic acid
Traditional Namese-adenosylselenohomocysteine
CAS Registry NumberNot Available
SMILES
NC(CC[Se]C[C@H]1O[C@@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O
InChI Identifier
InChI=1S/C14H20N6O5Se/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6?,7-,9-,10-,13+/m1/s1
InChI KeyUVSMMLABJBJNGH-WWJIDFMMSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 5'-deoxyribonucleosides. These are nucleosides in which the oxygen atom at the 5'position of the ribose moiety has been replaced by another atom. The nucleobases here are limited to purine, pyrimidine, and pyridine derivatives.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
Class5'-deoxyribonucleosides
Sub ClassNot Available
Direct Parent5'-deoxyribonucleosides
Alternative Parents
Substituents
  • 5'-deoxyribonucleoside
  • N-glycosyl compound
  • Glycosyl compound
  • Pentose monosaccharide
  • 6-aminopurine
  • Alpha-amino acid or derivatives
  • Alpha-amino acid
  • Purine
  • Imidazopyrimidine
  • Aminopyrimidine
  • Monosaccharide
  • N-substituted imidazole
  • Imidolactam
  • Pyrimidine
  • Heteroaromatic compound
  • Tetrahydrofuran
  • Azole
  • Imidazole
  • 1,2-diol
  • Amino acid
  • Amino acid or derivatives
  • Secondary alcohol
  • Organoheterocyclic compound
  • Azacycle
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Selenoether
  • Oxacycle
  • Organic nitrogen compound
  • Primary aliphatic amine
  • Organonitrogen compound
  • Organooxygen compound
  • Carbonyl group
  • Organoselenium compound
  • Primary amine
  • Hydrocarbon derivative
  • Amine
  • Organic oxide
  • Organopnictogen compound
  • Alcohol
  • Organic oxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Disposition

Source

Route of exposure

Process

Naturally occurring process

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Spectral PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility8.42 g/LALOGPS
logP10(-2.5) g/LALOGPS
logP10(-5.3) g/LChemAxon
logS10(-1.7) g/LALOGPS
pKa (Strongest Acidic)1.31ChemAxon
pKa (Strongest Basic)9.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area182.63 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity98.04 m³·mol⁻¹ChemAxon
Polarizability36.91 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Spectral Properties

Predicted Kovats Retention Indices

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Se-Adenosylselenohomocysteine,1TMS,#1C[Si](C)(C)O[C@H]1[C@@H](N2C=NC3=C(N)N=CN=C32)O[C@H](C[Se]CCC(N)C(=O)O)[C@H]1O3579.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,1TMS,#2C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(N)C(=O)O)O[C@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O3591.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,1TMS,#3C[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O3495.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,1TMS,#4C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)C(=O)O3615.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,1TMS,#5C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O)[C@@H](O)[C@H]1O3610.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,2TMS,#1C[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3408.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,2TMS,#2C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(N)C(=O)O)O[C@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C3448.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,2TMS,#3C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O)[C@@H](O)[C@H]1O[Si](C)(C)C3515.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,2TMS,#4C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O3503.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,2TMS,#5C[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3409.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,2TMS,#6C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O3500.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,2TMS,#7C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O)[C@@H](O[Si](C)(C)C)[C@H]1O3521.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,2TMS,#8C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C3466.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,2TMS,#9C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O[Si](C)(C)C)[C@@H](O)[C@H]1O3461.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,2TMS,#10C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C)C(=O)O)[C@@H](O)[C@H]1O3567.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,2TMS,#11C[Si](C)(C)N(C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)C(=O)O)[Si](C)(C)C3611.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,2TMS,#12C[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O)[C@@H](O)[C@H]1O)[Si](C)(C)C3529.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,3TMS,#1C[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3338.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,3TMS,#2C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O[Si](C)(C)C3388.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,3TMS,#3C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3407.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,3TMS,#4C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O3381.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,3TMS,#5C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3431.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,3TMS,#6C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C)C(=O)O)[C@@H](O)[C@H]1O[Si](C)(C)C3474.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,3TMS,#7C[Si](C)(C)O[C@H]1[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)O[C@H](C[Se]CCC(N)C(=O)O)[C@H]1O3449.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,3TMS,#8C[Si](C)(C)O[C@H]1[C@@H](N2C=NC3=C(N)N=CN=C32)O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O3519.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,3TMS,#9C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C3393.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,3TMS,#10C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3406.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,3TMS,#11C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C)C(=O)O)[C@@H](O[Si](C)(C)C)[C@H]1O3473.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,3TMS,#12C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O3525.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,3TMS,#13C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(N)C(=O)O)O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O3444.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,3TMS,#14C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O)[C@H]1O3469.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,3TMS,#15C[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)N([Si](C)(C)C)[Si](C)(C)C3526.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,3TMS,#16C[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3425.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,3TMS,#17C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)C(=O)O3495.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,3TMS,#18C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]1O3611.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,1TBDMS,#1CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](N2C=NC3=C(N)N=CN=C32)O[C@H](C[Se]CCC(N)C(=O)O)[C@H]1O3804.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,1TBDMS,#2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(N)C(=O)O)O[C@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O3809.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,1TBDMS,#3CC(C)(C)[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O3759.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,1TBDMS,#4CC(C)(C)[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)C(=O)O3847.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,1TBDMS,#5CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O)[C@@H](O)[C@H]1O3825.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,2TBDMS,#1CC(C)(C)[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3913.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,2TBDMS,#2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(N)C(=O)O)O[C@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C3928.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,2TBDMS,#3CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C3948.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,2TBDMS,#4CC(C)(C)[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(=O)O3972.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,2TBDMS,#5CC(C)(C)[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3914.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,2TBDMS,#6CC(C)(C)[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O3966.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,2TBDMS,#7CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O3942.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,2TBDMS,#8CC(C)(C)[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C(C)(C)C3934.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,2TBDMS,#9CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O3921.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,2TBDMS,#10CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[C@@H](O)[C@H]1O4012.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,2TBDMS,#11CC(C)(C)[Si](C)(C)N(C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)C(=O)O)[Si](C)(C)C(C)(C)C4064.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,2TBDMS,#12CC(C)(C)[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C3941.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,3TBDMS,#1CC(C)(C)[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4033.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,3TBDMS,#2CC(C)(C)[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(=O)O[Si](C)(C)C(C)(C)C4044.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,3TBDMS,#3CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4050.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,3TBDMS,#4CC(C)(C)[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O4058.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,3TBDMS,#5CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4072.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,3TBDMS,#6CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4100.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,3TBDMS,#7CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)O[C@H](C[Se]CCC(N)C(=O)O)[C@H]1O4083.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,3TBDMS,#8CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](N2C=NC3=C(N)N=CN=C32)O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H]1O4206.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,3TBDMS,#9CC(C)(C)[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4040.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,3TBDMS,#10CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4042.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,3TBDMS,#11CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4097.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,3TBDMS,#12CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[C@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4216.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,3TBDMS,#13CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(N)C(=O)O)O[C@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@@H]1O4080.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,3TBDMS,#14CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O4069.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,3TBDMS,#15CC(C)(C)[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4174.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,3TBDMS,#16CC(C)(C)[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4029.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,3TBDMS,#17CC(C)(C)[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)C(=O)O4118.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Se-Adenosylselenohomocysteine,3TBDMS,#18CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O4236.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Se-Adenosylselenohomocysteine GC-MS (Non-derivatized) - 70eV, Positivesplash10-056u-9830100000-9398a270ed78175f17052017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Se-Adenosylselenohomocysteine GC-MS (3 TMS) - 70eV, Positivesplash10-01sl-7193006000-d4458f7312a9f90f4d532017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Se-Adenosylselenohomocysteine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosylselenohomocysteine 10V, Positive-QTOFsplash10-001r-2215900000-7e601876a6e583c0ee502017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosylselenohomocysteine 20V, Positive-QTOFsplash10-000i-0900000000-a2ed12145690d087807e2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosylselenohomocysteine 40V, Positive-QTOFsplash10-00li-2900000000-b8810141b211eaa353c82017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosylselenohomocysteine 10V, Negative-QTOFsplash10-001i-0903100000-b28f2e6b623cc31f8acd2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosylselenohomocysteine 20V, Negative-QTOFsplash10-001i-0900100000-f2ce8f9f27533d01a6c22017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosylselenohomocysteine 40V, Negative-QTOFsplash10-001i-1900000000-618dd770fa6039b2346a2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosylselenohomocysteine 10V, Negative-QTOFsplash10-001i-0009100000-8e90a085d0f721adde422021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosylselenohomocysteine 20V, Negative-QTOFsplash10-001i-0419000000-9024f64ac25c2668cf192021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosylselenohomocysteine 40V, Negative-QTOFsplash10-001i-0901000000-47dd6d99ed121a91f5522021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosylselenohomocysteine 10V, Positive-QTOFsplash10-001i-0000900000-a7089db8158cdf40e75e2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosylselenohomocysteine 20V, Positive-QTOFsplash10-000i-1927300000-1af2b38820888905de0b2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosylselenohomocysteine 40V, Positive-QTOFsplash10-000i-1900000000-55e9a6584f636b7347652021-09-25Wishart 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 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 IDFDB027899
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound16682731
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDSEAHCYS
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available

Enzymes

General function:
Involved in protein methyltransferase activity
Specific function:
Methylates (mono and asymmetric dimethylation) the guanidino nitrogens of arginyl residues in some proteins
Gene Name:
PRMT3
Uniprot ID:
O60678
Molecular weight:
59902.7
General function:
Involved in adenosylhomocysteinase activity
Specific function:
Not Available
Gene Name:
AHCYL2
Uniprot ID:
Q96HN2
Molecular weight:
66592.445
Reactions
Se-Adenosylselenohomocysteine + Water → Adenosine + Selenohomocysteinedetails
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
Reactions
Se-Adenosylselenohomocysteine + Water → Adenosine + Selenohomocysteinedetails
General function:
Involved in adenosylhomocysteinase activity
Specific function:
Not Available
Gene Name:
AHCYL1
Uniprot ID:
O43865
Molecular weight:
53753.0
Reactions
Se-Adenosylselenohomocysteine + Water → Adenosine + Selenohomocysteinedetails
General function:
Not Available
Specific function:
N5-glutamine methyltransferase responsible for the methylation of the GGQ triplet of the mitochondrial translation release factor MTRF1L.
Gene Name:
HEMK1
Uniprot ID:
Q9Y5R4
Molecular weight:
Not Available
Reactions
R + Se-Adenosylselenomethionine → CH3-R + Se-Adenosylselenohomocysteinedetails
General function:
Not Available
Specific function:
Probable methyltransferase (By similarity).
Gene Name:
METTL2B
Uniprot ID:
Q6P1Q9
Molecular weight:
Not Available
Reactions
R + Se-Adenosylselenomethionine → CH3-R + Se-Adenosylselenohomocysteinedetails
General function:
Not Available
Specific function:
Probable methyltransferase (By similarity).
Gene Name:
METTL6
Uniprot ID:
Q8TCB7
Molecular weight:
Not Available
Reactions
R + Se-Adenosylselenomethionine → CH3-R + Se-Adenosylselenohomocysteinedetails
General function:
Not Available
Specific function:
Methyltransferase that may act on DNA.
Gene Name:
WBSCR22
Uniprot ID:
O43709
Molecular weight:
Not Available
Reactions
R + Se-Adenosylselenomethionine → CH3-R + Se-Adenosylselenohomocysteinedetails