Hmdb loader
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2006-05-22 14:17:51 UTC
Update Date2020-02-26 21:24:07 UTC
HMDB IDHMDB0002379
Secondary Accession Numbers
  • HMDB02379
Metabolite Identification
Common NameMesoporphyrin IX
DescriptionMesoporphyrins are porphyrins with four methyl, two ethyl, and two propionic acid side chains attached to the pyrrole rings. There are fifteen isomers of mesoporphyrin. Mesoporphyrin has anti-inflammatory action. Mesoporphyrin inhibits interferon-gamma and interleukin-6 production, which is closely related to the suppression of prostaglandin E2 generation by interfering cyclooxygenase 1 and 2 enzyme activities suggesting that the inhibition of cytokine production is one of the anti-inflammatory mechanisms of mesoporphyrin. (PMID: 10446754 ).
Structure
Data?1582752247
Synonyms
ValueSource
7,12-Diethyl-3,8,13,17-tetramethyl-2,18-porphinedipropionic acidHMDB
7,12-Diethyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoateHMDB
7,12-Diethyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoic acidHMDB
MesoporphyrinHMDB
MPIXHMDB
3-[20-(2-Carboxyethyl)-10,15-diethyl-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1(21),2,4,6(24),7,9,11,13,15,17,19-undecaen-4-yl]propanoateGenerator, HMDB
Chemical FormulaC34H38N4O4
Average Molecular Weight566.6899
Monoisotopic Molecular Weight566.289305724
IUPAC Name3-[20-(2-carboxyethyl)-10,15-diethyl-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1,3(24),4,6,8,10,12,14,16,18(21),19-undecaen-4-yl]propanoic acid
Traditional NameMPIX
CAS Registry Number493-90-3
SMILES
CCC1=C(C)/C2=C/C3=C(CC)C(C)=C(N3)\C=C3/N=C(/C=C4\N=C(\C=C\1/N\2)C(C)=C4CCC(O)=O)C(CCC(O)=O)=C3C
InChI Identifier
InChI=1S/C34H38N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h13-16,35-36H,7-12H2,1-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-
InChI KeyNCAJWYASAWUEBY-UJJXFSCMSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as porphyrins. Porphyrins are compounds containing a fundamental skeleton of four pyrrole nuclei united through the alpha-positions by four methine groups to form a macrocyclic structure.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassTetrapyrroles and derivatives
Sub ClassPorphyrins
Direct ParentPorphyrins
Alternative ParentsNot Available
SubstituentsNot Available
Molecular FrameworkNot Available
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
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 Solubility0.024 g/LALOGPS
logP4.82ALOGPS
logP7.29ChemAxon
logS-4.4ALOGPS
pKa (Strongest Acidic)3.53ChemAxon
pKa (Strongest Basic)4.95ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area131.96 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity163.72 m³·mol⁻¹ChemAxon
Polarizability67.28 ųChemAxon
Number of Rings5ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+240.85230932474
DeepCCS[M-H]-239.02730932474
DeepCCS[M-2H]-272.26830932474
DeepCCS[M+Na]+246.56630932474
AllCCS[M+H]+237.432859911
AllCCS[M+H-H2O]+235.832859911
AllCCS[M+NH4]+238.832859911
AllCCS[M+Na]+239.332859911
AllCCS[M-H]-235.332859911
AllCCS[M+Na-2H]-237.232859911
AllCCS[M+HCOO]-239.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Mesoporphyrin IXCCC1=C(C)/C2=C/C3=C(CC)C(C)=C(N3)\C=C3/N=C(/C=C4\N=C(\C=C\1/N\2)C(C)=C4CCC(O)=O)C(CCC(O)=O)=C3C5957.8Standard polar33892256
Mesoporphyrin IXCCC1=C(C)/C2=C/C3=C(CC)C(C)=C(N3)\C=C3/N=C(/C=C4\N=C(\C=C\1/N\2)C(C)=C4CCC(O)=O)C(CCC(O)=O)=C3C4116.0Standard non polar33892256
Mesoporphyrin IXCCC1=C(C)/C2=C/C3=C(CC)C(C)=C(N3)\C=C3/N=C(/C=C4\N=C(\C=C\1/N\2)C(C)=C4CCC(O)=O)C(CCC(O)=O)=C3C5639.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Mesoporphyrin IX,1TMS,isomer #1CCC1=C(C)C2=CC3=C(CC)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)=C5CCC(=O)O[Si](C)(C)C)C(CCC(=O)O)=C4C)[NH]35422.4Semi standard non polar33892256
Mesoporphyrin IX,1TMS,isomer #2CCC1=C(C)C2=CC3=C(CC)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)=C5CCC(=O)O)C(CCC(=O)O[Si](C)(C)C)=C4C)[NH]35422.4Semi standard non polar33892256
Mesoporphyrin IX,1TMS,isomer #3CCC1=C(C)C2=CC3=C(CC)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)=C5CCC(=O)O)C(CCC(=O)O)=C4C)N3[Si](C)(C)C5386.2Semi standard non polar33892256
Mesoporphyrin IX,1TMS,isomer #4CCC1=C(C)C2=CC3=NC(=CC4=NC(=CC5=C(CC)C(C)=C(C=C1[NH]2)N5[Si](C)(C)C)C(C)=C4CCC(=O)O)C(CCC(=O)O)=C3C5390.6Semi standard non polar33892256
Mesoporphyrin IX,2TMS,isomer #1CCC1=C(C)C2=CC3=C(CC)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)=C5CCC(=O)O[Si](C)(C)C)C(CCC(=O)O[Si](C)(C)C)=C4C)[NH]35314.0Semi standard non polar33892256
Mesoporphyrin IX,2TMS,isomer #2CCC1=C(C)C2=CC3=C(CC)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)=C5CCC(=O)O[Si](C)(C)C)C(CCC(=O)O)=C4C)N3[Si](C)(C)C5293.1Semi standard non polar33892256
Mesoporphyrin IX,2TMS,isomer #3CCC1=C(C)C2=CC3=NC(=CC4=NC(=CC5=C(CC)C(C)=C(C=C1[NH]2)N5[Si](C)(C)C)C(C)=C4CCC(=O)O[Si](C)(C)C)C(CCC(=O)O)=C3C5299.9Semi standard non polar33892256
Mesoporphyrin IX,2TMS,isomer #4CCC1=C(C)C2=CC3=C(CC)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)=C5CCC(=O)O)C(CCC(=O)O[Si](C)(C)C)=C4C)N3[Si](C)(C)C5293.1Semi standard non polar33892256
Mesoporphyrin IX,2TMS,isomer #5CCC1=C(C)C2=CC3=NC(=CC4=NC(=CC5=C(CC)C(C)=C(C=C1[NH]2)N5[Si](C)(C)C)C(C)=C4CCC(=O)O)C(CCC(=O)O[Si](C)(C)C)=C3C5299.9Semi standard non polar33892256
Mesoporphyrin IX,2TMS,isomer #6CCC1=C(C)C2=CC3=C(CC)C(C)=C(C=C4N=C(C=C5N=C(C=C1N2[Si](C)(C)C)C(C)=C5CCC(=O)O)C(CCC(=O)O)=C4C)N3[Si](C)(C)C5337.9Semi standard non polar33892256
Mesoporphyrin IX,3TMS,isomer #1CCC1=C(C)C2=CC3=C(CC)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)=C5CCC(=O)O[Si](C)(C)C)C(CCC(=O)O[Si](C)(C)C)=C4C)N3[Si](C)(C)C5211.1Semi standard non polar33892256
Mesoporphyrin IX,3TMS,isomer #1CCC1=C(C)C2=CC3=C(CC)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)=C5CCC(=O)O[Si](C)(C)C)C(CCC(=O)O[Si](C)(C)C)=C4C)N3[Si](C)(C)C4513.3Standard non polar33892256
Mesoporphyrin IX,3TMS,isomer #1CCC1=C(C)C2=CC3=C(CC)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)=C5CCC(=O)O[Si](C)(C)C)C(CCC(=O)O[Si](C)(C)C)=C4C)N3[Si](C)(C)C5927.9Standard polar33892256
Mesoporphyrin IX,3TMS,isomer #2CCC1=C(C)C2=CC3=NC(=CC4=NC(=CC5=C(CC)C(C)=C(C=C1[NH]2)N5[Si](C)(C)C)C(C)=C4CCC(=O)O[Si](C)(C)C)C(CCC(=O)O[Si](C)(C)C)=C3C5216.3Semi standard non polar33892256
Mesoporphyrin IX,3TMS,isomer #2CCC1=C(C)C2=CC3=NC(=CC4=NC(=CC5=C(CC)C(C)=C(C=C1[NH]2)N5[Si](C)(C)C)C(C)=C4CCC(=O)O[Si](C)(C)C)C(CCC(=O)O[Si](C)(C)C)=C3C4509.9Standard non polar33892256
Mesoporphyrin IX,3TMS,isomer #2CCC1=C(C)C2=CC3=NC(=CC4=NC(=CC5=C(CC)C(C)=C(C=C1[NH]2)N5[Si](C)(C)C)C(C)=C4CCC(=O)O[Si](C)(C)C)C(CCC(=O)O[Si](C)(C)C)=C3C5928.9Standard polar33892256
Mesoporphyrin IX,3TMS,isomer #3CCC1=C(C)C2=CC3=C(CC)C(C)=C(C=C4N=C(C=C5N=C(C=C1N2[Si](C)(C)C)C(C)=C5CCC(=O)O[Si](C)(C)C)C(CCC(=O)O)=C4C)N3[Si](C)(C)C5245.3Semi standard non polar33892256
Mesoporphyrin IX,3TMS,isomer #3CCC1=C(C)C2=CC3=C(CC)C(C)=C(C=C4N=C(C=C5N=C(C=C1N2[Si](C)(C)C)C(C)=C5CCC(=O)O[Si](C)(C)C)C(CCC(=O)O)=C4C)N3[Si](C)(C)C4551.9Standard non polar33892256
Mesoporphyrin IX,3TMS,isomer #3CCC1=C(C)C2=CC3=C(CC)C(C)=C(C=C4N=C(C=C5N=C(C=C1N2[Si](C)(C)C)C(C)=C5CCC(=O)O[Si](C)(C)C)C(CCC(=O)O)=C4C)N3[Si](C)(C)C5886.5Standard polar33892256
Mesoporphyrin IX,3TMS,isomer #4CCC1=C(C)C2=CC3=C(CC)C(C)=C(C=C4N=C(C=C5N=C(C=C1N2[Si](C)(C)C)C(C)=C5CCC(=O)O)C(CCC(=O)O[Si](C)(C)C)=C4C)N3[Si](C)(C)C5245.3Semi standard non polar33892256
Mesoporphyrin IX,3TMS,isomer #4CCC1=C(C)C2=CC3=C(CC)C(C)=C(C=C4N=C(C=C5N=C(C=C1N2[Si](C)(C)C)C(C)=C5CCC(=O)O)C(CCC(=O)O[Si](C)(C)C)=C4C)N3[Si](C)(C)C4551.9Standard non polar33892256
Mesoporphyrin IX,3TMS,isomer #4CCC1=C(C)C2=CC3=C(CC)C(C)=C(C=C4N=C(C=C5N=C(C=C1N2[Si](C)(C)C)C(C)=C5CCC(=O)O)C(CCC(=O)O[Si](C)(C)C)=C4C)N3[Si](C)(C)C5886.5Standard polar33892256
Mesoporphyrin IX,4TMS,isomer #1CCC1=C(C)C2=CC3=C(CC)C(C)=C(C=C4N=C(C=C5N=C(C=C1N2[Si](C)(C)C)C(C)=C5CCC(=O)O[Si](C)(C)C)C(CCC(=O)O[Si](C)(C)C)=C4C)N3[Si](C)(C)C5170.8Semi standard non polar33892256
Mesoporphyrin IX,4TMS,isomer #1CCC1=C(C)C2=CC3=C(CC)C(C)=C(C=C4N=C(C=C5N=C(C=C1N2[Si](C)(C)C)C(C)=C5CCC(=O)O[Si](C)(C)C)C(CCC(=O)O[Si](C)(C)C)=C4C)N3[Si](C)(C)C4532.6Standard non polar33892256
Mesoporphyrin IX,4TMS,isomer #1CCC1=C(C)C2=CC3=C(CC)C(C)=C(C=C4N=C(C=C5N=C(C=C1N2[Si](C)(C)C)C(C)=C5CCC(=O)O[Si](C)(C)C)C(CCC(=O)O[Si](C)(C)C)=C4C)N3[Si](C)(C)C5590.5Standard polar33892256
Mesoporphyrin IX,1TBDMS,isomer #1CCC1=C(C)C2=CC3=C(CC)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)=C5CCC(=O)O[Si](C)(C)C(C)(C)C)C(CCC(=O)O)=C4C)[NH]35631.6Semi standard non polar33892256
Mesoporphyrin IX,1TBDMS,isomer #2CCC1=C(C)C2=CC3=C(CC)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)=C5CCC(=O)O)C(CCC(=O)O[Si](C)(C)C(C)(C)C)=C4C)[NH]35631.5Semi standard non polar33892256
Mesoporphyrin IX,1TBDMS,isomer #3CCC1=C(C)C2=CC3=C(CC)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)=C5CCC(=O)O)C(CCC(=O)O)=C4C)N3[Si](C)(C)C(C)(C)C5552.2Semi standard non polar33892256
Mesoporphyrin IX,1TBDMS,isomer #4CCC1=C(C)C2=CC3=NC(=CC4=NC(=CC5=C(CC)C(C)=C(C=C1[NH]2)N5[Si](C)(C)C(C)(C)C)C(C)=C4CCC(=O)O)C(CCC(=O)O)=C3C5558.4Semi standard non polar33892256
Mesoporphyrin IX,2TBDMS,isomer #1CCC1=C(C)C2=CC3=C(CC)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)=C5CCC(=O)O[Si](C)(C)C(C)(C)C)C(CCC(=O)O[Si](C)(C)C(C)(C)C)=C4C)[NH]35642.8Semi standard non polar33892256
Mesoporphyrin IX,2TBDMS,isomer #2CCC1=C(C)C2=CC3=C(CC)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)=C5CCC(=O)O[Si](C)(C)C(C)(C)C)C(CCC(=O)O)=C4C)N3[Si](C)(C)C(C)(C)C5628.6Semi standard non polar33892256
Mesoporphyrin IX,2TBDMS,isomer #3CCC1=C(C)C2=CC3=NC(=CC4=NC(=CC5=C(CC)C(C)=C(C=C1[NH]2)N5[Si](C)(C)C(C)(C)C)C(C)=C4CCC(=O)O[Si](C)(C)C(C)(C)C)C(CCC(=O)O)=C3C5637.0Semi standard non polar33892256
Mesoporphyrin IX,2TBDMS,isomer #4CCC1=C(C)C2=CC3=C(CC)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)=C5CCC(=O)O)C(CCC(=O)O[Si](C)(C)C(C)(C)C)=C4C)N3[Si](C)(C)C(C)(C)C5628.4Semi standard non polar33892256
Mesoporphyrin IX,2TBDMS,isomer #5CCC1=C(C)C2=CC3=NC(=CC4=NC(=CC5=C(CC)C(C)=C(C=C1[NH]2)N5[Si](C)(C)C(C)(C)C)C(C)=C4CCC(=O)O)C(CCC(=O)O[Si](C)(C)C(C)(C)C)=C3C5637.0Semi standard non polar33892256
Mesoporphyrin IX,2TBDMS,isomer #6CCC1=C(C)C2=CC3=C(CC)C(C)=C(C=C4N=C(C=C5N=C(C=C1N2[Si](C)(C)C(C)(C)C)C(C)=C5CCC(=O)O)C(CCC(=O)O)=C4C)N3[Si](C)(C)C(C)(C)C5660.5Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Mesoporphyrin IX GC-MS (Non-derivatized) - 70eV, Positivesplash10-0pi3-1000290000-3334caad66220e0064502017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesoporphyrin IX GC-MS (1 TMS) - 70eV, Positivesplash10-00di-9000043000-a2d4e3150c95021fa8f42017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesoporphyrin IX GC-MS ("Mesoporphyrin IX,1TMS,#1" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesoporphyrin IX GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesoporphyrin IX GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesoporphyrin IX GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesoporphyrin IX GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesoporphyrin IX GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesoporphyrin IX GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesoporphyrin IX GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesoporphyrin IX GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesoporphyrin IX GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesoporphyrin IX GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesoporphyrin IX GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesoporphyrin IX GC-MS (TBDMS_1_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesoporphyrin IX GC-MS (TBDMS_1_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesoporphyrin IX GC-MS (TBDMS_2_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesoporphyrin IX GC-MS (TBDMS_2_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesoporphyrin IX GC-MS (TBDMS_2_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesoporphyrin IX GC-MS (TBDMS_2_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesoporphyrin IX GC-MS (TBDMS_2_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesoporphyrin IX GC-MS (TBDMS_2_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mesoporphyrin IX 10V, Positive-QTOFsplash10-0002-0000090000-f39eadaf63dd4b8e3c162017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mesoporphyrin IX 20V, Positive-QTOFsplash10-0fl1-0000390000-a60d92f4caeb718839e72017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mesoporphyrin IX 40V, Positive-QTOFsplash10-06r2-1000910000-c48150816a95b8ecc9592017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mesoporphyrin IX 10V, Negative-QTOFsplash10-014i-0000090000-d58453cd80688a112c952017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mesoporphyrin IX 20V, Negative-QTOFsplash10-00r2-0000090000-2b67f8520382c94bd18c2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mesoporphyrin IX 40V, Negative-QTOFsplash10-0a4i-9000140000-df5ce7ab48549426104e2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mesoporphyrin IX 10V, Negative-QTOFsplash10-014i-0000090000-1552a07a004fd4336da92021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mesoporphyrin IX 20V, Negative-QTOFsplash10-014i-0000090000-acb16b05f13378216a4f2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mesoporphyrin IX 40V, Negative-QTOFsplash10-0kdl-0000940000-bb23c5f45f8b781c03db2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mesoporphyrin IX 10V, Positive-QTOFsplash10-014i-0000090000-765efd1766eaadab9c972021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mesoporphyrin IX 20V, Positive-QTOFsplash10-014i-0000090000-7b56455dec517d7384c42021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mesoporphyrin IX 40V, Positive-QTOFsplash10-0a4i-2000690000-606dfcfb5d52fc7f9ba72021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Membrane (predicted from logP)
Biospecimen LocationsNot Available
Tissue Locations
  • Spleen
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 IDFDB022986
KNApSAcK IDNot Available
Chemspider ID65350
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN ID6655
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceFabry, T. L.; Simo, C.; Javaherian, K. Preparation of mesoporphyrin IX and copper and manganese mesoporphyrin complexes of apohemoglobin. Biochimica et Biophysica Acta, Protein Structure (1968), 160(1), 118-22.
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Tiribelli C, Ostrow JD: New concepts in bilirubin and jaundice: report of the Third International Bilirubin Workshop, April 6-8, 1995, Trieste, Italy. Hepatology. 1996 Nov;24(5):1296-311. [PubMed:8903413 ]
  2. Vreman HJ, Ekstrand BC, Stevenson DK: Selection of metalloporphyrin heme oxygenase inhibitors based on potency and photoreactivity. Pediatr Res. 1993 Feb;33(2):195-200. [PubMed:8433895 ]
  3. Greenbaum NL, Kappas A: Comparative photoactivity of tin and zinc porphyrin inhibitors of heme oxygenase: pronounced photolability of the zinc compounds. Photochem Photobiol. 1991 Aug;54(2):183-92. [PubMed:1780355 ]
  4. Drummond GS, Greenbaum NL, Kappas A: Tin(Sn+4)-diiododeuteroporphyrin; an in vitro and in vivo inhibitor of heme oxygenase with substantially reduced photoactive properties. J Pharmacol Exp Ther. 1991 Jun;257(3):1109-13. [PubMed:2046022 ]
  5. Beukeveld GJ, Meerman L, Huizenga JR, Venekamp-Hoolsema EE, Gips CH, Wolthers BG: Determination of porphyrins in bile using high performance liquid chromatography and some clinical applications. Eur J Clin Chem Clin Biochem. 1994 Mar;32(3):153-9. [PubMed:8031966 ]
  6. Beukeveld GJ, Bijleveld CM, Kuipers F, Kreeftenberg HG, Huizenga JR, te Velde K, Wolthers BG: Evaluation and clinical application of the Enterotest for the determination of human biliary porphyrin composition. Eur J Clin Chem Clin Biochem. 1995 Jul;33(7):453-62. [PubMed:7548456 ]
  7. Galbraith RA, Kappas A: Pharmacokinetics of tin-mesoporphyrin in man and the effects of tin-chelated porphyrins on hyperexcretion of heme pathway precursors in patients with acute inducible porphyria. Hepatology. 1989 Jun;9(6):882-8. [PubMed:2714739 ]
  8. Takaoka Y, Matsuura S, Boda K, Nagai H: The effect of mesoporphyrin on the production of cytokines by inflammatory cells in vitro. Jpn J Pharmacol. 1999 May;80(1):33-40. [PubMed:10446754 ]