Hmdb loader
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2013-06-15 18:04:00 UTC
Update Date2021-09-14 15:42:08 UTC
HMDB IDHMDB0060616
Secondary Accession Numbers
  • HMDB60616
Metabolite Identification
Common NameTamoxifen-N-glucuronide
DescriptionTamoxifen-N-glucuronide belongs to the class of organic compounds known as stilbene glycosides. Stilbene glycosides are compounds structurally characterized by the presence of a carbohydrate moiety glycosidically linked to the stilbene skeleton. In other tissues such as the endometrium, it behaves as an agonist, and thus may be characterized as a mixed agonist/antagonist. Tamoxifen-N-glucuronide is an extremely weak basic (essentially neutral) compound (based on its pKa). tamoxifen-N-glucuronide and uridine 5'-diphosphate can be biosynthesized from tamoxifen and uridine diphosphate glucuronic acid through its interaction with the enzyme UDP-glucuronosyltransferase 1-4. In humans, tamoxifen-N-glucuronide is involved in tamoxifen action pathway. Tamoxifen-N-glucuronide is a metabolite of tamoxifen. Tamoxifen is the usual endocrine therapy for hormone receptor-positive breast cancer in pre-menopausal women, and is also a standard in post-menopausal women although aromatase inhibitors are also frequently used in that setting. Tamoxifen is an antagonist of the estrogen receptor in breast tissue via its active metabolite, hydroxytamoxifen.
Structure
Data?1563866082
Synonyms
ValueSource
Tamoxifen N-glucuronideChEBI
Tamoxifen N-b-D-glucosiduronateHMDB
Tamoxifen N-b-D-glucosiduronic acidHMDB
Tamoxifen N-beta-D-glucosiduronateHMDB
Tamoxifen N-β-D-glucosiduronateHMDB
Tamoxifen N-β-D-glucosiduronic acidHMDB
Chemical FormulaC32H38NO7
Average Molecular Weight548.6466
Monoisotopic Molecular Weight548.264827575
IUPAC Name(2R,3R,4S,5S,6S)-6-carboxy-N-(2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)-3,4,5-trihydroxy-N,N-dimethyloxan-2-aminium
Traditional Nametamoxifen N-glucuronide
CAS Registry NumberNot Available
SMILES
CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCC[N+](C)(C)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1)C1=CC=CC=C1
InChI Identifier
InChI=1S/C32H37NO7/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)39-20-19-33(2,3)31-29(36)27(34)28(35)30(40-31)32(37)38/h5-18,27-31,34-36H,4,19-20H2,1-3H3/p+1/b26-25-/t27-,28-,29+,30-,31+/m0/s1
InChI KeyUKFQQYJAYUAYES-DTMHFWPESA-O
Chemical Taxonomy
Description Belongs to the class of organic compounds known as stilbene glycosides. Stilbene glycosides are compounds structurally characterized by the presence of a carbohydrate moiety glycosidically linked to the stilbene skeleton.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassStilbenes
Sub ClassStilbene glycosides
Direct ParentStilbene glycosides
Alternative Parents
Substituents
  • Stilbene glycoside
  • 1-n-glucuronide
  • N-glucuronide
  • Diphenylmethane
  • Glucuronic acid or derivatives
  • Glycosyl compound
  • N-glycosyl compound
  • Phenylpropane
  • Phenoxy compound
  • Phenol ether
  • Alkyl aryl ether
  • Beta-hydroxy acid
  • Monocyclic benzene moiety
  • Oxane
  • Benzenoid
  • Hydroxy acid
  • Pyran
  • Tetraalkylammonium salt
  • Hemiaminal
  • Secondary alcohol
  • Carboxylic acid derivative
  • Carboxylic acid
  • Ether
  • Oxacycle
  • Organoheterocyclic compound
  • Monocarboxylic acid or derivatives
  • Polyol
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organic nitrogen compound
  • Organopnictogen compound
  • Organic salt
  • Carbonyl group
  • Alcohol
  • Organooxygen compound
  • Organonitrogen compound
  • Organic cation
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Process
RoleNot 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
Water Solubility0.0029 g/LALOGPS
logP2.46ALOGPS
logP0.095ChemAxon
logS-5.3ALOGPS
pKa (Strongest Acidic)3.18ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area116.45 ŲChemAxon
Rotatable Bond Count10ChemAxon
Refractivity171.87 m³·mol⁻¹ChemAxon
Polarizability59.48 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
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]+227.63531661259
DarkChem[M-H]-225.5131661259
DeepCCS[M+H]+228.29730932474
DeepCCS[M-H]-226.47230932474
DeepCCS[M-2H]-260.23130932474
DeepCCS[M+Na]+234.00530932474
AllCCS[M+H]+234.732859911
AllCCS[M+H-H2O]+233.232859911
AllCCS[M+NH4]+236.032859911
AllCCS[M+Na]+236.432859911
AllCCS[M-H]-223.932859911
AllCCS[M+Na-2H]-225.932859911
AllCCS[M+HCOO]-228.232859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Tamoxifen-N-glucuronideCC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCC[N+](C)(C)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1)C1=CC=CC=C14855.2Standard polar33892256
Tamoxifen-N-glucuronideCC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCC[N+](C)(C)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1)C1=CC=CC=C13881.2Standard non polar33892256
Tamoxifen-N-glucuronideCC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCC[N+](C)(C)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1)C1=CC=CC=C14191.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Tamoxifen-N-glucuronide,1TMS,isomer #1CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCC[N+](C)(C)[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1)C1=CC=CC=C14349.9Semi standard non polar33892256
Tamoxifen-N-glucuronide,1TMS,isomer #2CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCC[N+](C)(C)[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1)C1=CC=CC=C14313.0Semi standard non polar33892256
Tamoxifen-N-glucuronide,1TMS,isomer #3CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCC[N+](C)(C)[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1)C1=CC=CC=C14363.4Semi standard non polar33892256
Tamoxifen-N-glucuronide,1TMS,isomer #4CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCC[N+](C)(C)[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C1)C1=CC=CC=C14351.7Semi standard non polar33892256
Tamoxifen-N-glucuronide,2TMS,isomer #1CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCC[N+](C)(C)[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1)C1=CC=CC=C14302.4Semi standard non polar33892256
Tamoxifen-N-glucuronide,2TMS,isomer #2CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCC[N+](C)(C)[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1)C1=CC=CC=C14290.3Semi standard non polar33892256
Tamoxifen-N-glucuronide,2TMS,isomer #3CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCC[N+](C)(C)[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1)C1=CC=CC=C14291.3Semi standard non polar33892256
Tamoxifen-N-glucuronide,2TMS,isomer #4CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCC[N+](C)(C)[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1)C1=CC=CC=C14267.9Semi standard non polar33892256
Tamoxifen-N-glucuronide,2TMS,isomer #5CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCC[N+](C)(C)[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1)C1=CC=CC=C14281.0Semi standard non polar33892256
Tamoxifen-N-glucuronide,2TMS,isomer #6CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCC[N+](C)(C)[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1)C1=CC=CC=C14300.0Semi standard non polar33892256
Tamoxifen-N-glucuronide,3TMS,isomer #1CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCC[N+](C)(C)[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1)C1=CC=CC=C14273.5Semi standard non polar33892256
Tamoxifen-N-glucuronide,3TMS,isomer #2CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCC[N+](C)(C)[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1)C1=CC=CC=C14270.9Semi standard non polar33892256
Tamoxifen-N-glucuronide,3TMS,isomer #3CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCC[N+](C)(C)[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1)C1=CC=CC=C14286.6Semi standard non polar33892256
Tamoxifen-N-glucuronide,3TMS,isomer #4CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCC[N+](C)(C)[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1)C1=CC=CC=C14258.1Semi standard non polar33892256
Tamoxifen-N-glucuronide,4TMS,isomer #1CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCC[N+](C)(C)[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1)C1=CC=CC=C14255.9Semi standard non polar33892256
Tamoxifen-N-glucuronide,1TBDMS,isomer #1CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCC[N+](C)(C)[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C1)C1=CC=CC=C14510.5Semi standard non polar33892256
Tamoxifen-N-glucuronide,1TBDMS,isomer #2CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCC[N+](C)(C)[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1)C1=CC=CC=C14500.4Semi standard non polar33892256
Tamoxifen-N-glucuronide,1TBDMS,isomer #3CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCC[N+](C)(C)[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1)C1=CC=CC=C14544.9Semi standard non polar33892256
Tamoxifen-N-glucuronide,1TBDMS,isomer #4CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCC[N+](C)(C)[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C1)C1=CC=CC=C14555.5Semi standard non polar33892256
Tamoxifen-N-glucuronide,2TBDMS,isomer #1CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCC[N+](C)(C)[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C1)C1=CC=CC=C14641.6Semi standard non polar33892256
Tamoxifen-N-glucuronide,2TBDMS,isomer #2CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCC[N+](C)(C)[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1)C1=CC=CC=C14609.8Semi standard non polar33892256
Tamoxifen-N-glucuronide,2TBDMS,isomer #3CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCC[N+](C)(C)[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1)C1=CC=CC=C14610.8Semi standard non polar33892256
Tamoxifen-N-glucuronide,2TBDMS,isomer #4CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCC[N+](C)(C)[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1)C1=CC=CC=C14630.2Semi standard non polar33892256
Tamoxifen-N-glucuronide,2TBDMS,isomer #5CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCC[N+](C)(C)[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1)C1=CC=CC=C14598.1Semi standard non polar33892256
Tamoxifen-N-glucuronide,2TBDMS,isomer #6CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCC[N+](C)(C)[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1)C1=CC=CC=C14651.9Semi standard non polar33892256
Tamoxifen-N-glucuronide,3TBDMS,isomer #1CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCC[N+](C)(C)[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1)C1=CC=CC=C14751.8Semi standard non polar33892256
Tamoxifen-N-glucuronide,3TBDMS,isomer #2CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCC[N+](C)(C)[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1)C1=CC=CC=C14760.6Semi standard non polar33892256
Tamoxifen-N-glucuronide,3TBDMS,isomer #3CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCC[N+](C)(C)[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1)C1=CC=CC=C14750.0Semi standard non polar33892256
Tamoxifen-N-glucuronide,3TBDMS,isomer #4CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCC[N+](C)(C)[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1)C1=CC=CC=C14747.4Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Tamoxifen-N-glucuronide GC-MS (Non-derivatized) - 70eV, Positivesplash10-01q9-6508930000-8be611bef8cb9e5275702017-09-20Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tamoxifen-N-glucuronide GC-MS (2 TMS) - 70eV, Positivesplash10-003r-8826449000-396e4e676fdddcba09b22017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tamoxifen-N-glucuronide GC-MS ("Tamoxifen-N-glucuronide,1TMS,#1" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tamoxifen-N-glucuronide GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tamoxifen-N-glucuronide GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tamoxifen-N-glucuronide GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tamoxifen-N-glucuronide GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tamoxifen-N-glucuronide GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tamoxifen-N-glucuronide GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tamoxifen-N-glucuronide GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tamoxifen-N-glucuronide GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tamoxifen-N-glucuronide GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tamoxifen-N-glucuronide GC-MS (TMS_3_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tamoxifen-N-glucuronide GC-MS (TMS_3_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tamoxifen-N-glucuronide GC-MS (TMS_3_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tamoxifen-N-glucuronide GC-MS (TMS_3_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tamoxifen-N-glucuronide GC-MS (TMS_4_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tamoxifen-N-glucuronide GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tamoxifen-N-glucuronide GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tamoxifen-N-glucuronide GC-MS (TBDMS_1_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tamoxifen-N-glucuronide GC-MS (TBDMS_1_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tamoxifen-N-glucuronide GC-MS (TBDMS_2_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tamoxifen-N-glucuronide GC-MS (TBDMS_2_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tamoxifen-N-glucuronide GC-MS (TBDMS_2_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tamoxifen-N-glucuronide GC-MS (TBDMS_2_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tamoxifen-N-glucuronide 10V, Positive-QTOFsplash10-00dj-0129280000-338e28f8f1a53d669b092017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tamoxifen-N-glucuronide 20V, Positive-QTOFsplash10-00di-4259000000-d82cc4aa588b1dccc7512017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tamoxifen-N-glucuronide 40V, Positive-QTOFsplash10-00di-4197000000-ef20e2b76844c56d747b2017-10-06Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
Biospecimen Locations
  • Blood
  • Urine
Tissue Locations
  • Kidney
  • Liver
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound5460873
PDB IDNot Available
ChEBI ID32663
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