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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2013-07-04 19:00:48 UTC
Update Date2021-09-14 15:42:35 UTC
HMDB IDHMDB0060808
Secondary Accession Numbers
  • HMDB60808
Metabolite Identification
Common NameAlpha-Hydroxy-tamoxifen-O-glucuronide
DescriptionAlpha-Hydroxy-tamoxifen-O-glucuronide is a metabolite of tamoxifen. Tamoxifen is an antagonist of the estrogen receptor in breast tissue via its active metabolite, hydroxytamoxifen. In other tissues such as the endometrium, it behaves as an agonist, and thus may be characterized as a mixed agonist/antagonist. 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. (Wikipedia)
Structure
Data?1563866108
Synonyms
ValueSource
a-Hydroxy-tamoxifen-O-glucuronideGenerator
Α-hydroxy-tamoxifen-O-glucuronideGenerator
Chemical FormulaC32H37NO8
Average Molecular Weight563.6381
Monoisotopic Molecular Weight563.251917165
IUPAC Name(2S,3S,4S,5R,6S)-6-{[(2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)(methyl)amino]methoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Traditional Name(2S,3S,4S,5R,6S)-6-{[(2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)(methyl)amino]methoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
CAS Registry NumberNot Available
SMILES
CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)CO[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/C32H37NO8/c1-3-25(21-10-6-4-7-11-21)26(22-12-8-5-9-13-22)23-14-16-24(17-15-23)39-19-18-33(2)20-40-32-29(36)27(34)28(35)30(41-32)31(37)38/h4-17,27-30,32,34-36H,3,18-20H2,1-2H3,(H,37,38)/b26-25-/t27-,28-,29+,30-,32+/m0/s1
InChI KeyWEHJOAAYUBXOCR-RVJUPFJYSA-N
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-o-glucuronide
  • O-glucuronide
  • Diphenylmethane
  • Glucuronic acid or derivatives
  • Hexose monosaccharide
  • Glycosyl compound
  • O-glycosyl compound
  • Phenylpropane
  • Phenoxy compound
  • Phenol ether
  • Alkyl aryl ether
  • Beta-hydroxy acid
  • Monocyclic benzene moiety
  • Benzenoid
  • Hydroxy acid
  • Monosaccharide
  • Oxane
  • Pyran
  • Secondary alcohol
  • Hemiaminal
  • Polyol
  • Oxacycle
  • Carboxylic acid derivative
  • Carboxylic acid
  • Acetal
  • Ether
  • Organoheterocyclic compound
  • Monocarboxylic acid or derivatives
  • Organonitrogen compound
  • Organooxygen compound
  • Organic oxygen compound
  • Alcohol
  • Carbonyl group
  • Organic nitrogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Disposition

Biological location

Process

Naturally occurring process

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 Solubility0.018 g/LALOGPS
logP4.04ALOGPS
logP1.8ChemAxon
logS-4.5ALOGPS
pKa (Strongest Acidic)3.22ChemAxon
pKa (Strongest Basic)6.38ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area128.92 ŲChemAxon
Rotatable Bond Count12ChemAxon
Refractivity161.81 m³·mol⁻¹ChemAxon
Polarizability61.17 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+231.03631661259
DarkChem[M-H]-229.44831661259
DeepCCS[M+H]+228.70830932474
DeepCCS[M-H]-226.88330932474
DeepCCS[M-2H]-260.36230932474
DeepCCS[M+Na]+234.31430932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Alpha-Hydroxy-tamoxifen-O-glucuronideCC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)CO[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1)C1=CC=CC=C15048.1Standard polar33892256
Alpha-Hydroxy-tamoxifen-O-glucuronideCC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)CO[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1)C1=CC=CC=C14326.6Standard non polar33892256
Alpha-Hydroxy-tamoxifen-O-glucuronideCC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)CO[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1)C1=CC=CC=C14309.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Alpha-Hydroxy-tamoxifen-O-glucuronide,1TMS,isomer #1CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCCN(C)CO[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=C14466.8Semi standard non polar33892256
Alpha-Hydroxy-tamoxifen-O-glucuronide,1TMS,isomer #2CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCCN(C)CO[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=C14438.6Semi standard non polar33892256
Alpha-Hydroxy-tamoxifen-O-glucuronide,1TMS,isomer #3CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCCN(C)CO[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=C14461.4Semi standard non polar33892256
Alpha-Hydroxy-tamoxifen-O-glucuronide,1TMS,isomer #4CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCCN(C)CO[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=C14425.7Semi standard non polar33892256
Alpha-Hydroxy-tamoxifen-O-glucuronide,2TMS,isomer #1CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCCN(C)CO[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=C14400.3Semi standard non polar33892256
Alpha-Hydroxy-tamoxifen-O-glucuronide,2TMS,isomer #2CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCCN(C)CO[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=C14406.6Semi standard non polar33892256
Alpha-Hydroxy-tamoxifen-O-glucuronide,2TMS,isomer #3CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCCN(C)CO[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=C14411.6Semi standard non polar33892256
Alpha-Hydroxy-tamoxifen-O-glucuronide,2TMS,isomer #4CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCCN(C)CO[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=C14362.9Semi standard non polar33892256
Alpha-Hydroxy-tamoxifen-O-glucuronide,2TMS,isomer #5CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCCN(C)CO[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=C14393.7Semi standard non polar33892256
Alpha-Hydroxy-tamoxifen-O-glucuronide,2TMS,isomer #6CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCCN(C)CO[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=C14386.0Semi standard non polar33892256
Alpha-Hydroxy-tamoxifen-O-glucuronide,3TMS,isomer #1CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCCN(C)CO[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=C14347.6Semi standard non polar33892256
Alpha-Hydroxy-tamoxifen-O-glucuronide,3TMS,isomer #2CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCCN(C)CO[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=C14367.3Semi standard non polar33892256
Alpha-Hydroxy-tamoxifen-O-glucuronide,3TMS,isomer #3CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCCN(C)CO[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=C14386.0Semi standard non polar33892256
Alpha-Hydroxy-tamoxifen-O-glucuronide,3TMS,isomer #4CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCCN(C)CO[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=C14341.5Semi standard non polar33892256
Alpha-Hydroxy-tamoxifen-O-glucuronide,4TMS,isomer #1CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCCN(C)CO[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=C14320.6Semi standard non polar33892256
Alpha-Hydroxy-tamoxifen-O-glucuronide,1TBDMS,isomer #1CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCCN(C)CO[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=C14644.6Semi standard non polar33892256
Alpha-Hydroxy-tamoxifen-O-glucuronide,1TBDMS,isomer #2CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCCN(C)CO[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=C14629.4Semi standard non polar33892256
Alpha-Hydroxy-tamoxifen-O-glucuronide,1TBDMS,isomer #3CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCCN(C)CO[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=C14645.4Semi standard non polar33892256
Alpha-Hydroxy-tamoxifen-O-glucuronide,1TBDMS,isomer #4CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCCN(C)CO[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=C14641.7Semi standard non polar33892256
Alpha-Hydroxy-tamoxifen-O-glucuronide,2TBDMS,isomer #1CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCCN(C)CO[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=C14747.7Semi standard non polar33892256
Alpha-Hydroxy-tamoxifen-O-glucuronide,2TBDMS,isomer #2CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCCN(C)CO[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=C14740.1Semi standard non polar33892256
Alpha-Hydroxy-tamoxifen-O-glucuronide,2TBDMS,isomer #3CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCCN(C)CO[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=C14739.3Semi standard non polar33892256
Alpha-Hydroxy-tamoxifen-O-glucuronide,2TBDMS,isomer #4CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCCN(C)CO[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=C14720.6Semi standard non polar33892256
Alpha-Hydroxy-tamoxifen-O-glucuronide,2TBDMS,isomer #5CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCCN(C)CO[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=C14735.4Semi standard non polar33892256
Alpha-Hydroxy-tamoxifen-O-glucuronide,2TBDMS,isomer #6CC/C(=C(\C1=CC=CC=C1)C1=CC=C(OCCN(C)CO[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=C14755.3Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Alpha-Hydroxy-tamoxifen-O-glucuronide GC-MS (Non-derivatized) - 70eV, Positivesplash10-0aba-9314230000-3b0bf901162c03a1dd262017-09-20Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Alpha-Hydroxy-tamoxifen-O-glucuronide GC-MS (1 TMS) - 70eV, Positivesplash10-0ab9-9425105000-de068111fe0e93ca012d2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Alpha-Hydroxy-tamoxifen-O-glucuronide GC-MS ("Alpha-Hydroxy-tamoxifen-O-glucuronide,1TMS,#1" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Alpha-Hydroxy-tamoxifen-O-glucuronide GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Alpha-Hydroxy-tamoxifen-O-glucuronide GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Alpha-Hydroxy-tamoxifen-O-glucuronide GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Alpha-Hydroxy-tamoxifen-O-glucuronide GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Alpha-Hydroxy-tamoxifen-O-glucuronide GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Alpha-Hydroxy-tamoxifen-O-glucuronide GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Alpha-Hydroxy-tamoxifen-O-glucuronide GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Alpha-Hydroxy-tamoxifen-O-glucuronide GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Alpha-Hydroxy-tamoxifen-O-glucuronide GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Alpha-Hydroxy-tamoxifen-O-glucuronide GC-MS (TMS_3_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Alpha-Hydroxy-tamoxifen-O-glucuronide GC-MS (TMS_3_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Alpha-Hydroxy-tamoxifen-O-glucuronide GC-MS (TMS_3_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Alpha-Hydroxy-tamoxifen-O-glucuronide GC-MS (TMS_3_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Alpha-Hydroxy-tamoxifen-O-glucuronide GC-MS (TMS_4_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Alpha-Hydroxy-tamoxifen-O-glucuronide GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Alpha-Hydroxy-tamoxifen-O-glucuronide GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Alpha-Hydroxy-tamoxifen-O-glucuronide GC-MS (TBDMS_1_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Alpha-Hydroxy-tamoxifen-O-glucuronide GC-MS (TBDMS_1_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Alpha-Hydroxy-tamoxifen-O-glucuronide GC-MS (TBDMS_2_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Alpha-Hydroxy-tamoxifen-O-glucuronide GC-MS (TBDMS_2_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Alpha-Hydroxy-tamoxifen-O-glucuronide GC-MS (TBDMS_2_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Alpha-Hydroxy-tamoxifen-O-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 - Alpha-Hydroxy-tamoxifen-O-glucuronide 10V, Positive-QTOFsplash10-06rb-0228190000-ad93e0be10a4543f4b342017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Alpha-Hydroxy-tamoxifen-O-glucuronide 20V, Positive-QTOFsplash10-0abi-3129000000-66973fd8f2db0c9caded2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Alpha-Hydroxy-tamoxifen-O-glucuronide 40V, Positive-QTOFsplash10-0a59-8298000000-12d6372a632284dd6a3c2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Alpha-Hydroxy-tamoxifen-O-glucuronide 10V, Negative-QTOFsplash10-03xr-2232090000-20bc4fb5d943926b1bef2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Alpha-Hydroxy-tamoxifen-O-glucuronide 20V, Negative-QTOFsplash10-0002-4493050000-4d60b55e37cbfb833ca62017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Alpha-Hydroxy-tamoxifen-O-glucuronide 40V, Negative-QTOFsplash10-06re-9543000000-35f47eaea0ed8a2255232017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Alpha-Hydroxy-tamoxifen-O-glucuronide 10V, Positive-QTOFsplash10-03k9-0008090000-8233b1499b2d5ddca63f2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Alpha-Hydroxy-tamoxifen-O-glucuronide 20V, Positive-QTOFsplash10-00di-1119010000-086b2cadbe2444dc8f702021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Alpha-Hydroxy-tamoxifen-O-glucuronide 40V, Positive-QTOFsplash10-0fk9-9641100000-1a7db365043b664f540d2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Alpha-Hydroxy-tamoxifen-O-glucuronide 10V, Negative-QTOFsplash10-03di-0001090000-59c211e3d6ff4e8902f02021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Alpha-Hydroxy-tamoxifen-O-glucuronide 20V, Negative-QTOFsplash10-0c0a-4936250000-75b66fa5fffe3e4dafca2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Alpha-Hydroxy-tamoxifen-O-glucuronide 40V, Negative-QTOFsplash10-0002-3193000000-66b45564aee8df59a43f2021-10-12Wishart 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 Compound131769958
PDB IDNot Available
ChEBI IDNot Available
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