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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-13 11:48:50 UTC
Update Date2021-09-14 15:19:57 UTC
HMDB IDHMDB0041936
Secondary Accession Numbers
  • HMDB41936
Metabolite Identification
Common NameMorphine-3-glucuronide
DescriptionMorphine-3-glucuronide belongs to the class of organic compounds known as morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic. In humans, morphine-3-glucuronide is involved in the morphine action pathway. Morphine-3-glucuronide is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a significant number of articles have been published on Morphine-3-glucuronide.
Structure
Data?1563863716
Synonyms
ValueSource
Morphine 3-glucuronide(minor)HMDB
Morphine-3beta-D-glucuronideHMDB
Chemical FormulaC23H27NO9
Average Molecular Weight461.4618
Monoisotopic Molecular Weight461.168581467
IUPAC Name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(1S,5R,13R,14S,17R)-14-hydroxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10,15-tetraen-10-yl]oxy}oxane-2-carboxylic acid
Traditional Namemorphine-3-glucuronide
CAS Registry Number20290-09-9
SMILES
[H][C@@]12CC3=C4C(O[C@H]5[C@@H](O)C=C[C@@H]1[C@@]45CCN2C)=C(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=C3
InChI Identifier
InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-4-12(25)20(23)32-18-13(5-2-9(14(18)23)8-11(10)24)31-22-17(28)15(26)16(27)19(33-22)21(29)30/h2-5,10-12,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10-,11+,12-,15-,16-,17+,19-,20-,22+,23-/m0/s1
InChI KeyWAEXKFONHRHFBZ-ZXDZBKESSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.
KingdomOrganic compounds
Super ClassAlkaloids and derivatives
ClassMorphinans
Sub ClassNot Available
Direct ParentMorphinans
Alternative Parents
Substituents
  • Morphinan
  • Fatty acyl glycoside
  • Fatty acyl glycoside of mono- or disaccharide
  • Phenolic glycoside
  • 1-o-glucuronide
  • O-glucuronide
  • Phenanthrene
  • Glucuronic acid or derivatives
  • Alkyl glycoside
  • Glycosyl compound
  • O-glycosyl compound
  • Tetralin
  • Coumaran
  • Alkyl aryl ether
  • Beta-hydroxy acid
  • Aralkylamine
  • Pyran
  • Piperidine
  • Oxane
  • Benzenoid
  • Fatty acyl
  • Hydroxy acid
  • Monosaccharide
  • Tertiary amine
  • Secondary alcohol
  • Amino acid or derivatives
  • Amino acid
  • Tertiary aliphatic amine
  • Organoheterocyclic compound
  • Oxacycle
  • Monocarboxylic acid or derivatives
  • Azacycle
  • Acetal
  • Polyol
  • Carboxylic acid derivative
  • Carboxylic acid
  • Ether
  • Organooxygen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Carbonyl group
  • Alcohol
  • Organic oxide
  • Amine
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Disposition

Biological location

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 Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility9.06 g/LALOGPS
logP10(-0.63) g/LALOGPS
logP10(-3.5) g/LChemAxon
logS10(-1.7) g/LALOGPS
pKa (Strongest Acidic)2.67ChemAxon
pKa (Strongest Basic)9.17ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area149.15 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity112.13 m³·mol⁻¹ChemAxon
Polarizability45.51 ųChemAxon
Number of Rings6ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Morphine-3-glucuronide[H][C@@]12CC3=C4C(O[C@H]5[C@@H](O)C=C[C@@H]1[C@@]45CCN2C)=C(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=C34630.8Standard polar33892256
Morphine-3-glucuronide[H][C@@]12CC3=C4C(O[C@H]5[C@@H](O)C=C[C@@H]1[C@@]45CCN2C)=C(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=C33540.0Standard non polar33892256
Morphine-3-glucuronide[H][C@@]12CC3=C4C(O[C@H]5[C@@H](O)C=C[C@@H]1[C@@]45CCN2C)=C(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=C33915.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Morphine-3-glucuronide,1TMS,isomer #1CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)=C4O[C@H]2[C@@H](O[Si](C)(C)C)C=C[C@H]3[C@H]1C53715.3Semi standard non polar33892256
Morphine-3-glucuronide,1TMS,isomer #2CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]6O)=C4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C53707.0Semi standard non polar33892256
Morphine-3-glucuronide,1TMS,isomer #3CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]6O)=C4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C53728.2Semi standard non polar33892256
Morphine-3-glucuronide,1TMS,isomer #4CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O[Si](C)(C)C)=C4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C53715.3Semi standard non polar33892256
Morphine-3-glucuronide,1TMS,isomer #5CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]6O)=C4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C53661.5Semi standard non polar33892256
Morphine-3-glucuronide,2TMS,isomer #1CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]6O)=C4O[C@H]2[C@@H](O[Si](C)(C)C)C=C[C@H]3[C@H]1C53641.9Semi standard non polar33892256
Morphine-3-glucuronide,2TMS,isomer #10CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]6O[Si](C)(C)C)=C4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C53648.0Semi standard non polar33892256
Morphine-3-glucuronide,2TMS,isomer #2CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]6O)=C4O[C@H]2[C@@H](O[Si](C)(C)C)C=C[C@H]3[C@H]1C53693.0Semi standard non polar33892256
Morphine-3-glucuronide,2TMS,isomer #3CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]6O)=C4O[C@H]2[C@@H](O[Si](C)(C)C)C=C[C@H]3[C@H]1C53704.0Semi standard non polar33892256
Morphine-3-glucuronide,2TMS,isomer #4CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O[Si](C)(C)C)=C4O[C@H]2[C@@H](O[Si](C)(C)C)C=C[C@H]3[C@H]1C53695.1Semi standard non polar33892256
Morphine-3-glucuronide,2TMS,isomer #5CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]6O)=C4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C53652.7Semi standard non polar33892256
Morphine-3-glucuronide,2TMS,isomer #6CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]6O)=C4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C53695.0Semi standard non polar33892256
Morphine-3-glucuronide,2TMS,isomer #7CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]6O[Si](C)(C)C)=C4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C53696.3Semi standard non polar33892256
Morphine-3-glucuronide,2TMS,isomer #8CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]6O)=C4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C53653.8Semi standard non polar33892256
Morphine-3-glucuronide,2TMS,isomer #9CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]6O[Si](C)(C)C)=C4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C53695.5Semi standard non polar33892256
Morphine-3-glucuronide,3TMS,isomer #1CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]6O)=C4O[C@H]2[C@@H](O[Si](C)(C)C)C=C[C@H]3[C@H]1C53666.0Semi standard non polar33892256
Morphine-3-glucuronide,3TMS,isomer #10CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]6O[Si](C)(C)C)=C4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C53638.6Semi standard non polar33892256
Morphine-3-glucuronide,3TMS,isomer #2CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]6O)=C4O[C@H]2[C@@H](O[Si](C)(C)C)C=C[C@H]3[C@H]1C53657.9Semi standard non polar33892256
Morphine-3-glucuronide,3TMS,isomer #3CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]6O[Si](C)(C)C)=C4O[C@H]2[C@@H](O[Si](C)(C)C)C=C[C@H]3[C@H]1C53660.3Semi standard non polar33892256
Morphine-3-glucuronide,3TMS,isomer #4CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]6O)=C4O[C@H]2[C@@H](O[Si](C)(C)C)C=C[C@H]3[C@H]1C53686.7Semi standard non polar33892256
Morphine-3-glucuronide,3TMS,isomer #5CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]6O[Si](C)(C)C)=C4O[C@H]2[C@@H](O[Si](C)(C)C)C=C[C@H]3[C@H]1C53688.2Semi standard non polar33892256
Morphine-3-glucuronide,3TMS,isomer #6CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]6O[Si](C)(C)C)=C4O[C@H]2[C@@H](O[Si](C)(C)C)C=C[C@H]3[C@H]1C53684.6Semi standard non polar33892256
Morphine-3-glucuronide,3TMS,isomer #7CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[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]6O)=C4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C53642.2Semi standard non polar33892256
Morphine-3-glucuronide,3TMS,isomer #8CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]6O[Si](C)(C)C)=C4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C53649.2Semi standard non polar33892256
Morphine-3-glucuronide,3TMS,isomer #9CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]6O[Si](C)(C)C)=C4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C53668.0Semi standard non polar33892256
Morphine-3-glucuronide,4TMS,isomer #1CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[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]6O)=C4O[C@H]2[C@@H](O[Si](C)(C)C)C=C[C@H]3[C@H]1C53665.2Semi standard non polar33892256
Morphine-3-glucuronide,4TMS,isomer #2CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]6O[Si](C)(C)C)=C4O[C@H]2[C@@H](O[Si](C)(C)C)C=C[C@H]3[C@H]1C53672.0Semi standard non polar33892256
Morphine-3-glucuronide,4TMS,isomer #3CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]6O[Si](C)(C)C)=C4O[C@H]2[C@@H](O[Si](C)(C)C)C=C[C@H]3[C@H]1C53663.6Semi standard non polar33892256
Morphine-3-glucuronide,4TMS,isomer #4CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]6O[Si](C)(C)C)=C4O[C@H]2[C@@H](O[Si](C)(C)C)C=C[C@H]3[C@H]1C53675.7Semi standard non polar33892256
Morphine-3-glucuronide,4TMS,isomer #5CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[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]6O[Si](C)(C)C)=C4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C53645.1Semi standard non polar33892256
Morphine-3-glucuronide,5TMS,isomer #1CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[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]6O[Si](C)(C)C)=C4O[C@H]2[C@@H](O[Si](C)(C)C)C=C[C@H]3[C@H]1C53688.9Semi standard non polar33892256
Morphine-3-glucuronide,1TBDMS,isomer #1CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)=C4O[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)C=C[C@H]3[C@H]1C53949.9Semi standard non polar33892256
Morphine-3-glucuronide,1TBDMS,isomer #2CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]6O)=C4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C53935.0Semi standard non polar33892256
Morphine-3-glucuronide,1TBDMS,isomer #3CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]6O)=C4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C53956.5Semi standard non polar33892256
Morphine-3-glucuronide,1TBDMS,isomer #4CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O[Si](C)(C)C(C)(C)C)=C4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C53944.1Semi standard non polar33892256
Morphine-3-glucuronide,1TBDMS,isomer #5CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]6O)=C4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C53906.4Semi standard non polar33892256
Morphine-3-glucuronide,2TBDMS,isomer #1CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]6O)=C4O[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)C=C[C@H]3[C@H]1C54097.9Semi standard non polar33892256
Morphine-3-glucuronide,2TBDMS,isomer #10CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]6O[Si](C)(C)C(C)(C)C)=C4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C54105.4Semi standard non polar33892256
Morphine-3-glucuronide,2TBDMS,isomer #2CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]6O)=C4O[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)C=C[C@H]3[C@H]1C54140.5Semi standard non polar33892256
Morphine-3-glucuronide,2TBDMS,isomer #3CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]6O)=C4O[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)C=C[C@H]3[C@H]1C54161.3Semi standard non polar33892256
Morphine-3-glucuronide,2TBDMS,isomer #4CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O[Si](C)(C)C(C)(C)C)=C4O[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)C=C[C@H]3[C@H]1C54157.4Semi standard non polar33892256
Morphine-3-glucuronide,2TBDMS,isomer #5CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[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]6O)=C4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C54104.6Semi standard non polar33892256
Morphine-3-glucuronide,2TBDMS,isomer #6CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[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]6O)=C4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C54122.0Semi standard non polar33892256
Morphine-3-glucuronide,2TBDMS,isomer #7CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]6O[Si](C)(C)C(C)(C)C)=C4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C54123.2Semi standard non polar33892256
Morphine-3-glucuronide,2TBDMS,isomer #8CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[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]6O)=C4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C54111.5Semi standard non polar33892256
Morphine-3-glucuronide,2TBDMS,isomer #9CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]6O[Si](C)(C)C(C)(C)C)=C4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C54124.0Semi standard non polar33892256
Morphine-3-glucuronide,3TBDMS,isomer #1CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[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]6O)=C4O[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)C=C[C@H]3[C@H]1C54318.3Semi standard non polar33892256
Morphine-3-glucuronide,3TBDMS,isomer #10CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[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]6O[Si](C)(C)C(C)(C)C)=C4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C54288.1Semi standard non polar33892256
Morphine-3-glucuronide,3TBDMS,isomer #2CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[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]6O)=C4O[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)C=C[C@H]3[C@H]1C54317.0Semi standard non polar33892256
Morphine-3-glucuronide,3TBDMS,isomer #3CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]6O[Si](C)(C)C(C)(C)C)=C4O[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)C=C[C@H]3[C@H]1C54326.0Semi standard non polar33892256
Morphine-3-glucuronide,3TBDMS,isomer #4CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[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]6O)=C4O[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)C=C[C@H]3[C@H]1C54324.0Semi standard non polar33892256
Morphine-3-glucuronide,3TBDMS,isomer #5CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]6O[Si](C)(C)C(C)(C)C)=C4O[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)C=C[C@H]3[C@H]1C54330.0Semi standard non polar33892256
Morphine-3-glucuronide,3TBDMS,isomer #6CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]6O[Si](C)(C)C(C)(C)C)=C4O[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)C=C[C@H]3[C@H]1C54329.2Semi standard non polar33892256
Morphine-3-glucuronide,3TBDMS,isomer #7CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[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]6O)=C4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C54288.1Semi standard non polar33892256
Morphine-3-glucuronide,3TBDMS,isomer #8CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[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]6O[Si](C)(C)C(C)(C)C)=C4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C54300.5Semi standard non polar33892256
Morphine-3-glucuronide,3TBDMS,isomer #9CN1CC[C@]23C4=C5C=CC(O[C@@H]6O[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]6O[Si](C)(C)C(C)(C)C)=C4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C54290.9Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Morphine-3-glucuronide GC-MS (Non-derivatized) - 70eV, Positivesplash10-052f-9015500000-6efd8a07efbced2ab8d52017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Morphine-3-glucuronide GC-MS (3 TMS) - 70eV, Positivesplash10-03di-5312039000-4e3af59a311a1a8d4ff32017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Morphine-3-glucuronide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Morphine-3-glucuronide GC-MS (TBDMS_2_9) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Morphine-3-glucuronide GC-MS (TBDMS_3_6) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Morphine-3-glucuronide GC-MS (TBDMS_3_9) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Morphine-3-glucuronide GC-MS (TBDMS_3_10) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Morphine-3-glucuronide GC-MS ("Morphine-3-glucuronide,2TBDMS,#9" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Morphine-3-glucuronide 10V, Positive-QTOFsplash10-01pc-0090700000-e7fd49d19d854ee34daf2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Morphine-3-glucuronide 20V, Positive-QTOFsplash10-000i-0090000000-6e5563d713276370c1282016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Morphine-3-glucuronide 40V, Positive-QTOFsplash10-01bi-2190000000-6b6a368a1d84af573a8c2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Morphine-3-glucuronide 10V, Negative-QTOFsplash10-03e9-2341900000-9ae8b4daaa0b2d5ff3fa2016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Morphine-3-glucuronide 20V, Negative-QTOFsplash10-001i-1290200000-3a05bfbed3f84a1ef6aa2016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Morphine-3-glucuronide 40V, Negative-QTOFsplash10-001i-3190000000-22d2ab5a61d00c8fce612016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Morphine-3-glucuronide 10V, Positive-QTOFsplash10-03di-0020900000-1b82a39d0f82654a2fb12021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Morphine-3-glucuronide 20V, Positive-QTOFsplash10-03di-0102900000-106eb410bb82e75a5c4a2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Morphine-3-glucuronide 40V, Positive-QTOFsplash10-03di-1428900000-d63c346ba4273670de272021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Morphine-3-glucuronide 10V, Negative-QTOFsplash10-03di-0000900000-c23f6d27b4578a388ccf2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Morphine-3-glucuronide 20V, Negative-QTOFsplash10-03e9-5182900000-608ad169cb44cb21ee662021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Morphine-3-glucuronide 40V, Negative-QTOFsplash10-0a4i-9044200000-e8b066d4574999b9f9e42021-09-23Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart 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 ID4588593
KEGG Compound IDC16643
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkMorphine-3-glucuronide
METLIN IDNot Available
PubChem Compound5484731
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

Only showing the first 10 proteins. There are 18 proteins in total.

Enzymes

General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGTs are of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isozyme has glucuronidating capacity with steroid substrates such as 5-beta-androstane 3-alpha,17-beta-diol, estradiol, ADT, eugenol and bile acids. Only isoform 1 seems to be active.
Gene Name:
UGT2B28
Uniprot ID:
Q9BY64
Molecular weight:
38742.9
Reactions
Morphine + Uridine diphosphate glucuronic acid → Morphine-3-glucuronide + Uridine 5'-diphosphatedetails
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGTs are of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isozyme is active on polyhydroxylated estrogens (such as estriol, 4-hydroxyestrone and 2-hydroxyestriol) and xenobiotics (such as 4-methylumbelliferone, 1-naphthol, 4-nitrophenol, 2-aminophenol, 4-hydroxybiphenyl and menthol). It is capable of 6 alpha-hydroxyglucuronidation of hyodeoxycholic acid.
Gene Name:
UGT2B4
Uniprot ID:
P06133
Molecular weight:
60512.035
Reactions
Morphine + Uridine diphosphate glucuronic acid → Morphine-3-glucuronide + Uridine 5'-diphosphatedetails
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate.
Gene Name:
UGT1A4
Uniprot ID:
P22310
Molecular weight:
60024.535
Reactions
Morphine + Uridine diphosphate glucuronic acid → Morphine-3-glucuronide + Uridine 5'-diphosphatedetails
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds.
Gene Name:
UGT2B10
Uniprot ID:
P36537
Molecular weight:
60773.485
Reactions
Morphine + Uridine diphosphate glucuronic acid → Morphine-3-glucuronide + Uridine 5'-diphosphatedetails
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. Its unique specificity for 3,4-catechol estrogens and estriol suggests it may play an important role in regulating the level and activity of these potent and active estrogen metabolites. Is also active with androsterone, hyodeoxycholic acid and tetrachlorocatechol (in vitro).
Gene Name:
UGT2B7
Uniprot ID:
P16662
Molecular weight:
60720.15
Reactions
Morphine + Uridine diphosphate glucuronic acid → Morphine-3-glucuronide + Uridine 5'-diphosphatedetails
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGTs are of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isozyme displays activity toward several classes of xenobiotic substrates, including simple phenolic compounds, 7-hydroxylated coumarins, flavonoids, anthraquinones, and certain drugs and their hydroxylated metabolites. It also catalyzes the glucuronidation of endogenous estrogens and androgens.
Gene Name:
UGT2B15
Uniprot ID:
P54855
Molecular weight:
61035.815
Reactions
Morphine + Uridine diphosphate glucuronic acid → Morphine-3-glucuronide + Uridine 5'-diphosphatedetails
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDP-glucuronosyltransferases catalyze phase II biotransformation reactions in which lipophilic substrates are conjugated with glucuronic acid to increase water solubility and enhance excretion. They are of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. Active on odorants and seems to be involved in olfaction; it could help clear lipophilic odorant molecules from the sensory epithelium.
Gene Name:
UGT2A1
Uniprot ID:
Q9Y4X1
Molecular weight:
60771.605
Reactions
Morphine + Uridine diphosphate glucuronic acid → Morphine-3-glucuronide + Uridine 5'-diphosphatedetails
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate. Is also able to catalyze the glucuronidation of 17beta-estradiol, 17alpha-ethinylestradiol, 1-hydroxypyrene, 4-methylumbelliferone, 1-naphthol, paranitrophenol, scopoletin, and umbelliferone.
Gene Name:
UGT1A1
Uniprot ID:
P22309
Molecular weight:
59590.91
Reactions
Morphine + Uridine diphosphate glucuronic acid → Morphine-3-glucuronide + Uridine 5'-diphosphatedetails
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform has specificity for phenols.
Gene Name:
UGT1A9
Uniprot ID:
O60656
Molecular weight:
59940.495
Reactions
Morphine + Uridine diphosphate glucuronic acid → Morphine-3-glucuronide + Uridine 5'-diphosphatedetails
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds.
Gene Name:
UGT1A8
Uniprot ID:
Q9HAW9
Molecular weight:
59741.035
Reactions
Morphine + Uridine diphosphate glucuronic acid → Morphine-3-glucuronide + Uridine 5'-diphosphatedetails

Only showing the first 10 proteins. There are 18 proteins in total.