Hmdb loader
You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Human Metabolome Database.
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2020-09-13 20:55:48 UTC
HMDB IDHMDB0001097
Secondary Accession Numbers
  • HMDB01097
Metabolite Identification
Common NameProtoporphyrinogen IX
DescriptionProtoporphyrinogen IX is an intermediate in heme biosynthesis. It is a porphyrinogen in which two pyrrole rings each have one methyl and one propionate side chain, and the other two pyrrole rings each have one methyl and one vinyl side chain. Fifteen isomers are possible but only one, type IX, occurs naturally. Protoporphyrinogen is produced by oxidative decarboxylation of coproporphyrinogen. Under certain conditions, protoporphyrinogen IX can act as a phototoxin, a neurotoxin, and a metabotoxin. A phototoxin leads to cell damage upon exposure to light. A neurotoxin causes damage to nerve cells and nerve tissues. A metabotoxin is an endogenously produced metabolite that causes adverse health effects at chronically high levels. Chronically high levels of porphyrins are associated with porphyrias such as porphyria variegate, acute intermittent porphyria, and hereditary coproporphyria (HCP). In particular, protoporphyrinogen IX is accumulated and excreted excessively in the feces in acute intermittent porphyria, protoporphyria, and variegate porphyria. There are several types of porphyrias (most are inherited). Hepatic porphyrias are characterized by acute neurological attacks (seizures, psychosis, extreme back and abdominal pain, and an acute polyneuropathy), while the erythropoietic forms present with skin problems (usually a light-sensitive blistering rash and increased hair growth). The neurotoxicity of porphyrins may be due to their selective interactions with tubulin, which disrupt microtubule formation and cause neural malformations (PMID: 3441503 ).
Structure
Data?1600030548
Synonyms
ValueSource
7,12-Diethenyl-3,8,13,17-tetramethyl-5,10,15,20,22,24-hexahydroporphyrin-2,18-dipropanoic acidChEBI
7,12-Diethenyl-3,8,13,17-tetramethyl-5,10,15,20,22,24-hexahydroporphyrin-2,18-dipropanoateGenerator
5,10,15,20,22,24-Hexahydro protoporphyrin IX deriv.HMDB
7,12-Diethenyl-5,10,15,20,22,24-hexahydro-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoateHMDB
7,12-Diethenyl-5,10,15,20,22,24-hexahydro-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoic acidHMDB
ProtoporphyrinogenHMDB
Protoporphyrinogen-IXHMDB
Chemical FormulaC34H40N4O4
Average Molecular Weight568.7058
Monoisotopic Molecular Weight568.304955788
IUPAC Name3-[20-(2-carboxyethyl)-9,14-diethenyl-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(20),3,5,8,10,13,15,18-octaen-4-yl]propanoic acid
Traditional Name3-[20-(2-carboxyethyl)-9,14-diethenyl-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(20),3,5,8,10,13,15,18-octaen-4-yl]propanoic acid
CAS Registry Number7412-77-3
SMILES
CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(C=C)=C(CC5=C(C)C(CCC(O)=O)=C(CC(N2)=C1CCC(O)=O)N5)N4)N3
InChI Identifier
InChI=1S/C34H40N4O4/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/h7-8,35-38H,1-2,9-16H2,3-6H3,(H,39,40)(H,41,42)
InChI KeyUHSGPDMIQQYNAX-UHFFFAOYSA-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 Parents
Substituents
  • Porphyrin
  • Dicarboxylic acid or derivatives
  • Substituted pyrrole
  • Pyrrole
  • Heteroaromatic compound
  • Azacycle
  • Carboxylic acid
  • Carboxylic acid derivative
  • Carbonyl group
  • Organopnictogen compound
  • Organic oxygen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effect
Disposition
Biological locationRoute of exposureSource
Process
Role
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 Solubility0.0055 g/LALOGPS
logP3.44ALOGPS
logP6.2ChemAxon
logS-5ALOGPS
pKa (Strongest Acidic)4.07ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area137.76 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity169.42 m³·mol⁻¹ChemAxon
Polarizability64.52 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
DarkChem[M+H]+231.93631661259
DarkChem[M-H]-229.46731661259
AllCCS[M+H]+238.26232859911
AllCCS[M-H]-234.78932859911
DeepCCS[M+H]+241.13730932474
DeepCCS[M-H]-238.92630932474
DeepCCS[M-2H]-272.16830932474
DeepCCS[M+Na]+247.0530932474
AllCCS[M+H]+238.332859911
AllCCS[M+H-H2O]+236.832859911
AllCCS[M+NH4]+239.632859911
AllCCS[M+Na]+240.032859911
AllCCS[M-H]-234.832859911
AllCCS[M+Na-2H]-236.632859911
AllCCS[M+HCOO]-238.732859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Protoporphyrinogen IXCC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(C=C)=C(CC5=C(C)C(CCC(O)=O)=C(CC(N2)=C1CCC(O)=O)N5)N4)N35796.1Standard polar33892256
Protoporphyrinogen IXCC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(C=C)=C(CC5=C(C)C(CCC(O)=O)=C(CC(N2)=C1CCC(O)=O)N5)N4)N34191.6Standard non polar33892256
Protoporphyrinogen IXCC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(C=C)=C(CC5=C(C)C(CCC(O)=O)=C(CC(N2)=C1CCC(O)=O)N5)N4)N35415.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Protoporphyrinogen IX,1TMS,isomer #1C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)[NH]2)[NH]5)[NH]4)[NH]35056.8Semi standard non polar33892256
Protoporphyrinogen IX,1TMS,isomer #2C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1C)[NH]2)[NH]5)[NH]4)[NH]35056.8Semi standard non polar33892256
Protoporphyrinogen IX,1TMS,isomer #3C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)[NH]4)[NH]35134.8Semi standard non polar33892256
Protoporphyrinogen IX,1TMS,isomer #4C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)[NH]2)[NH]5)N4[Si](C)(C)C)[NH]35139.4Semi standard non polar33892256
Protoporphyrinogen IX,1TMS,isomer #5C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)[NH]2)[NH]5)[NH]4)N3[Si](C)(C)C5093.7Semi standard non polar33892256
Protoporphyrinogen IX,1TMS,isomer #6C=CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)[NH]4)[NH]35090.0Semi standard non polar33892256
Protoporphyrinogen IX,2TMS,isomer #1C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1C)[NH]2)[NH]5)[NH]4)[NH]34955.1Semi standard non polar33892256
Protoporphyrinogen IX,2TMS,isomer #10C=CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)[NH]35100.1Semi standard non polar33892256
Protoporphyrinogen IX,2TMS,isomer #11C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)[NH]35147.4Semi standard non polar33892256
Protoporphyrinogen IX,2TMS,isomer #12C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)[NH]4)N3[Si](C)(C)C5094.7Semi standard non polar33892256
Protoporphyrinogen IX,2TMS,isomer #13C=CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)[NH]4)N3[Si](C)(C)C5094.9Semi standard non polar33892256
Protoporphyrinogen IX,2TMS,isomer #14C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)[NH]2)[NH]5)N4[Si](C)(C)C)N3[Si](C)(C)C5110.8Semi standard non polar33892256
Protoporphyrinogen IX,2TMS,isomer #15C=CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)N2[Si](C)(C)C)N5[Si](C)(C)C)[NH]4)[NH]35072.4Semi standard non polar33892256
Protoporphyrinogen IX,2TMS,isomer #2C=CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)[NH]4)[NH]34999.7Semi standard non polar33892256
Protoporphyrinogen IX,2TMS,isomer #3C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)[NH]4)[NH]35033.9Semi standard non polar33892256
Protoporphyrinogen IX,2TMS,isomer #4C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)[NH]2)[NH]5)N4[Si](C)(C)C)[NH]35037.0Semi standard non polar33892256
Protoporphyrinogen IX,2TMS,isomer #5C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)[NH]2)[NH]5)[NH]4)N3[Si](C)(C)C5004.3Semi standard non polar33892256
Protoporphyrinogen IX,2TMS,isomer #6C=CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)[NH]4)[NH]34999.5Semi standard non polar33892256
Protoporphyrinogen IX,2TMS,isomer #7C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)[NH]4)[NH]35031.3Semi standard non polar33892256
Protoporphyrinogen IX,2TMS,isomer #8C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1C)[NH]2)[NH]5)N4[Si](C)(C)C)[NH]35039.6Semi standard non polar33892256
Protoporphyrinogen IX,2TMS,isomer #9C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1C)[NH]2)[NH]5)[NH]4)N3[Si](C)(C)C5004.3Semi standard non polar33892256
Protoporphyrinogen IX,3TMS,isomer #1C=CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)[NH]4)[NH]34920.5Semi standard non polar33892256
Protoporphyrinogen IX,3TMS,isomer #1C=CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)[NH]4)[NH]34535.4Standard non polar33892256
Protoporphyrinogen IX,3TMS,isomer #1C=CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)[NH]4)[NH]36148.8Standard polar33892256
Protoporphyrinogen IX,3TMS,isomer #10C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)[NH]2)[NH]5)N4[Si](C)(C)C)N3[Si](C)(C)C5029.7Semi standard non polar33892256
Protoporphyrinogen IX,3TMS,isomer #10C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)[NH]2)[NH]5)N4[Si](C)(C)C)N3[Si](C)(C)C4536.9Standard non polar33892256
Protoporphyrinogen IX,3TMS,isomer #10C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)[NH]2)[NH]5)N4[Si](C)(C)C)N3[Si](C)(C)C6162.2Standard polar33892256
Protoporphyrinogen IX,3TMS,isomer #11C=CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)N2[Si](C)(C)C)N5[Si](C)(C)C)[NH]4)[NH]35000.6Semi standard non polar33892256
Protoporphyrinogen IX,3TMS,isomer #11C=CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)N2[Si](C)(C)C)N5[Si](C)(C)C)[NH]4)[NH]34556.7Standard non polar33892256
Protoporphyrinogen IX,3TMS,isomer #11C=CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)N2[Si](C)(C)C)N5[Si](C)(C)C)[NH]4)[NH]36052.7Standard polar33892256
Protoporphyrinogen IX,3TMS,isomer #12C=CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)[NH]35019.1Semi standard non polar33892256
Protoporphyrinogen IX,3TMS,isomer #12C=CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)[NH]34535.6Standard non polar33892256
Protoporphyrinogen IX,3TMS,isomer #12C=CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)[NH]36160.7Standard polar33892256
Protoporphyrinogen IX,3TMS,isomer #13C=CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)[NH]4)N3[Si](C)(C)C5018.1Semi standard non polar33892256
Protoporphyrinogen IX,3TMS,isomer #13C=CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)[NH]4)N3[Si](C)(C)C4532.2Standard non polar33892256
Protoporphyrinogen IX,3TMS,isomer #13C=CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)[NH]4)N3[Si](C)(C)C6163.5Standard polar33892256
Protoporphyrinogen IX,3TMS,isomer #14C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)[NH]35057.4Semi standard non polar33892256
Protoporphyrinogen IX,3TMS,isomer #14C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)[NH]34510.6Standard non polar33892256
Protoporphyrinogen IX,3TMS,isomer #14C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)[NH]36265.9Standard polar33892256
Protoporphyrinogen IX,3TMS,isomer #15C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)[NH]4)N3[Si](C)(C)C5015.1Semi standard non polar33892256
Protoporphyrinogen IX,3TMS,isomer #15C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)[NH]4)N3[Si](C)(C)C4533.5Standard non polar33892256
Protoporphyrinogen IX,3TMS,isomer #15C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)[NH]4)N3[Si](C)(C)C6159.4Standard polar33892256
Protoporphyrinogen IX,3TMS,isomer #16C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1C)[NH]2)[NH]5)N4[Si](C)(C)C)N3[Si](C)(C)C5033.0Semi standard non polar33892256
Protoporphyrinogen IX,3TMS,isomer #16C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1C)[NH]2)[NH]5)N4[Si](C)(C)C)N3[Si](C)(C)C4535.3Standard non polar33892256
Protoporphyrinogen IX,3TMS,isomer #16C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1C)[NH]2)[NH]5)N4[Si](C)(C)C)N3[Si](C)(C)C6166.3Standard polar33892256
Protoporphyrinogen IX,3TMS,isomer #17C=CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)N2[Si](C)(C)C)N5[Si](C)(C)C)N4[Si](C)(C)C)[NH]35100.4Semi standard non polar33892256
Protoporphyrinogen IX,3TMS,isomer #17C=CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)N2[Si](C)(C)C)N5[Si](C)(C)C)N4[Si](C)(C)C)[NH]34570.4Standard non polar33892256
Protoporphyrinogen IX,3TMS,isomer #17C=CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)N2[Si](C)(C)C)N5[Si](C)(C)C)N4[Si](C)(C)C)[NH]36070.2Standard polar33892256
Protoporphyrinogen IX,3TMS,isomer #18C=CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)N3[Si](C)(C)C5144.4Semi standard non polar33892256
Protoporphyrinogen IX,3TMS,isomer #18C=CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)N3[Si](C)(C)C4548.5Standard non polar33892256
Protoporphyrinogen IX,3TMS,isomer #18C=CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)N3[Si](C)(C)C6190.1Standard polar33892256
Protoporphyrinogen IX,3TMS,isomer #19C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)N3[Si](C)(C)C5149.1Semi standard non polar33892256
Protoporphyrinogen IX,3TMS,isomer #19C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)N3[Si](C)(C)C4548.6Standard non polar33892256
Protoporphyrinogen IX,3TMS,isomer #19C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)N3[Si](C)(C)C6190.9Standard polar33892256
Protoporphyrinogen IX,3TMS,isomer #2C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)[NH]4)[NH]34930.7Semi standard non polar33892256
Protoporphyrinogen IX,3TMS,isomer #2C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)[NH]4)[NH]34511.7Standard non polar33892256
Protoporphyrinogen IX,3TMS,isomer #2C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)[NH]4)[NH]36244.6Standard polar33892256
Protoporphyrinogen IX,3TMS,isomer #20C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)N2[Si](C)(C)C)[NH]5)N4[Si](C)(C)C)N3[Si](C)(C)C5104.9Semi standard non polar33892256
Protoporphyrinogen IX,3TMS,isomer #20C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)N2[Si](C)(C)C)[NH]5)N4[Si](C)(C)C)N3[Si](C)(C)C4570.2Standard non polar33892256
Protoporphyrinogen IX,3TMS,isomer #20C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)N2[Si](C)(C)C)[NH]5)N4[Si](C)(C)C)N3[Si](C)(C)C6070.9Standard polar33892256
Protoporphyrinogen IX,3TMS,isomer #3C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1C)[NH]2)[NH]5)N4[Si](C)(C)C)[NH]34934.8Semi standard non polar33892256
Protoporphyrinogen IX,3TMS,isomer #3C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1C)[NH]2)[NH]5)N4[Si](C)(C)C)[NH]34513.6Standard non polar33892256
Protoporphyrinogen IX,3TMS,isomer #3C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1C)[NH]2)[NH]5)N4[Si](C)(C)C)[NH]36245.1Standard polar33892256
Protoporphyrinogen IX,3TMS,isomer #4C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1C)[NH]2)[NH]5)[NH]4)N3[Si](C)(C)C4923.5Semi standard non polar33892256
Protoporphyrinogen IX,3TMS,isomer #4C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1C)[NH]2)[NH]5)[NH]4)N3[Si](C)(C)C4538.1Standard non polar33892256
Protoporphyrinogen IX,3TMS,isomer #4C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1C)[NH]2)[NH]5)[NH]4)N3[Si](C)(C)C6149.2Standard polar33892256
Protoporphyrinogen IX,3TMS,isomer #5C=CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)N2[Si](C)(C)C)N5[Si](C)(C)C)[NH]4)[NH]35000.6Semi standard non polar33892256
Protoporphyrinogen IX,3TMS,isomer #5C=CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)N2[Si](C)(C)C)N5[Si](C)(C)C)[NH]4)[NH]34556.7Standard non polar33892256
Protoporphyrinogen IX,3TMS,isomer #5C=CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)N2[Si](C)(C)C)N5[Si](C)(C)C)[NH]4)[NH]36052.7Standard polar33892256
Protoporphyrinogen IX,3TMS,isomer #6C=CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)[NH]35021.7Semi standard non polar33892256
Protoporphyrinogen IX,3TMS,isomer #6C=CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)[NH]34533.7Standard non polar33892256
Protoporphyrinogen IX,3TMS,isomer #6C=CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)[NH]36164.9Standard polar33892256
Protoporphyrinogen IX,3TMS,isomer #7C=CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)[NH]4)N3[Si](C)(C)C5014.8Semi standard non polar33892256
Protoporphyrinogen IX,3TMS,isomer #7C=CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)[NH]4)N3[Si](C)(C)C4534.0Standard non polar33892256
Protoporphyrinogen IX,3TMS,isomer #7C=CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)[NH]4)N3[Si](C)(C)C6159.4Standard polar33892256
Protoporphyrinogen IX,3TMS,isomer #8C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)[NH]35057.4Semi standard non polar33892256
Protoporphyrinogen IX,3TMS,isomer #8C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)[NH]34510.5Standard non polar33892256
Protoporphyrinogen IX,3TMS,isomer #8C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)[NH]36266.0Standard polar33892256
Protoporphyrinogen IX,3TMS,isomer #9C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)[NH]4)N3[Si](C)(C)C5018.2Semi standard non polar33892256
Protoporphyrinogen IX,3TMS,isomer #9C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)[NH]4)N3[Si](C)(C)C4531.6Standard non polar33892256
Protoporphyrinogen IX,3TMS,isomer #9C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)[NH]4)N3[Si](C)(C)C6163.5Standard polar33892256
Protoporphyrinogen IX,4TMS,isomer #1C=CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)N2[Si](C)(C)C)N5[Si](C)(C)C)[NH]4)[NH]34905.1Semi standard non polar33892256
Protoporphyrinogen IX,4TMS,isomer #1C=CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)N2[Si](C)(C)C)N5[Si](C)(C)C)[NH]4)[NH]34512.9Standard non polar33892256
Protoporphyrinogen IX,4TMS,isomer #1C=CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)N2[Si](C)(C)C)N5[Si](C)(C)C)[NH]4)[NH]35792.4Standard polar33892256
Protoporphyrinogen IX,4TMS,isomer #10C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)N3[Si](C)(C)C5060.9Semi standard non polar33892256
Protoporphyrinogen IX,4TMS,isomer #10C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)N3[Si](C)(C)C4484.4Standard non polar33892256
Protoporphyrinogen IX,4TMS,isomer #10C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)N3[Si](C)(C)C5934.4Standard polar33892256
Protoporphyrinogen IX,4TMS,isomer #11C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1C)N2[Si](C)(C)C)[NH]5)N4[Si](C)(C)C)N3[Si](C)(C)C5018.7Semi standard non polar33892256
Protoporphyrinogen IX,4TMS,isomer #11C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1C)N2[Si](C)(C)C)[NH]5)N4[Si](C)(C)C)N3[Si](C)(C)C4505.6Standard non polar33892256
Protoporphyrinogen IX,4TMS,isomer #11C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1C)N2[Si](C)(C)C)[NH]5)N4[Si](C)(C)C)N3[Si](C)(C)C5810.7Standard polar33892256
Protoporphyrinogen IX,4TMS,isomer #12C=CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)N2[Si](C)(C)C)N5[Si](C)(C)C)N4[Si](C)(C)C)[NH]35013.4Semi standard non polar33892256
Protoporphyrinogen IX,4TMS,isomer #12C=CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)N2[Si](C)(C)C)N5[Si](C)(C)C)N4[Si](C)(C)C)[NH]34508.3Standard non polar33892256
Protoporphyrinogen IX,4TMS,isomer #12C=CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)N2[Si](C)(C)C)N5[Si](C)(C)C)N4[Si](C)(C)C)[NH]35806.2Standard polar33892256
Protoporphyrinogen IX,4TMS,isomer #13C=CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)N3[Si](C)(C)C5057.3Semi standard non polar33892256
Protoporphyrinogen IX,4TMS,isomer #13C=CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)N3[Si](C)(C)C4486.4Standard non polar33892256
Protoporphyrinogen IX,4TMS,isomer #13C=CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)N3[Si](C)(C)C5934.7Standard polar33892256
Protoporphyrinogen IX,4TMS,isomer #14C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)N3[Si](C)(C)C5060.9Semi standard non polar33892256
Protoporphyrinogen IX,4TMS,isomer #14C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)N3[Si](C)(C)C4484.5Standard non polar33892256
Protoporphyrinogen IX,4TMS,isomer #14C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)N3[Si](C)(C)C5934.4Standard polar33892256
Protoporphyrinogen IX,4TMS,isomer #15C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)N2[Si](C)(C)C)N5[Si](C)(C)C)N4[Si](C)(C)C)N3[Si](C)(C)C5168.3Semi standard non polar33892256
Protoporphyrinogen IX,4TMS,isomer #15C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)N2[Si](C)(C)C)N5[Si](C)(C)C)N4[Si](C)(C)C)N3[Si](C)(C)C4528.9Standard non polar33892256
Protoporphyrinogen IX,4TMS,isomer #15C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)N2[Si](C)(C)C)N5[Si](C)(C)C)N4[Si](C)(C)C)N3[Si](C)(C)C5849.5Standard polar33892256
Protoporphyrinogen IX,4TMS,isomer #2C=CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)[NH]34920.3Semi standard non polar33892256
Protoporphyrinogen IX,4TMS,isomer #2C=CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)[NH]34485.2Standard non polar33892256
Protoporphyrinogen IX,4TMS,isomer #2C=CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)[NH]35908.4Standard polar33892256
Protoporphyrinogen IX,4TMS,isomer #3C=CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)[NH]4)N3[Si](C)(C)C4918.5Semi standard non polar33892256
Protoporphyrinogen IX,4TMS,isomer #3C=CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)[NH]4)N3[Si](C)(C)C4482.7Standard non polar33892256
Protoporphyrinogen IX,4TMS,isomer #3C=CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)[NH]4)N3[Si](C)(C)C5906.1Standard polar33892256
Protoporphyrinogen IX,4TMS,isomer #4C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)[NH]34948.8Semi standard non polar33892256
Protoporphyrinogen IX,4TMS,isomer #4C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)[NH]34458.9Standard non polar33892256
Protoporphyrinogen IX,4TMS,isomer #4C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)[NH]36016.7Standard polar33892256
Protoporphyrinogen IX,4TMS,isomer #5C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)[NH]4)N3[Si](C)(C)C4919.0Semi standard non polar33892256
Protoporphyrinogen IX,4TMS,isomer #5C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)[NH]4)N3[Si](C)(C)C4483.3Standard non polar33892256
Protoporphyrinogen IX,4TMS,isomer #5C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)[NH]4)N3[Si](C)(C)C5905.6Standard polar33892256
Protoporphyrinogen IX,4TMS,isomer #6C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1C)[NH]2)[NH]5)N4[Si](C)(C)C)N3[Si](C)(C)C4928.4Semi standard non polar33892256
Protoporphyrinogen IX,4TMS,isomer #6C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1C)[NH]2)[NH]5)N4[Si](C)(C)C)N3[Si](C)(C)C4486.6Standard non polar33892256
Protoporphyrinogen IX,4TMS,isomer #6C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1C)[NH]2)[NH]5)N4[Si](C)(C)C)N3[Si](C)(C)C5907.7Standard polar33892256
Protoporphyrinogen IX,4TMS,isomer #7C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)N2[Si](C)(C)C)[NH]5)N4[Si](C)(C)C)N3[Si](C)(C)C5017.2Semi standard non polar33892256
Protoporphyrinogen IX,4TMS,isomer #7C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)N2[Si](C)(C)C)[NH]5)N4[Si](C)(C)C)N3[Si](C)(C)C4505.7Standard non polar33892256
Protoporphyrinogen IX,4TMS,isomer #7C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)N2[Si](C)(C)C)[NH]5)N4[Si](C)(C)C)N3[Si](C)(C)C5806.2Standard polar33892256
Protoporphyrinogen IX,4TMS,isomer #8C=CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)N2[Si](C)(C)C)N5[Si](C)(C)C)N4[Si](C)(C)C)[NH]35014.5Semi standard non polar33892256
Protoporphyrinogen IX,4TMS,isomer #8C=CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)N2[Si](C)(C)C)N5[Si](C)(C)C)N4[Si](C)(C)C)[NH]34508.1Standard non polar33892256
Protoporphyrinogen IX,4TMS,isomer #8C=CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)N2[Si](C)(C)C)N5[Si](C)(C)C)N4[Si](C)(C)C)[NH]35810.7Standard polar33892256
Protoporphyrinogen IX,4TMS,isomer #9C=CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)N3[Si](C)(C)C5057.1Semi standard non polar33892256
Protoporphyrinogen IX,4TMS,isomer #9C=CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)N3[Si](C)(C)C4486.3Standard non polar33892256
Protoporphyrinogen IX,4TMS,isomer #9C=CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)N3[Si](C)(C)C5934.7Standard polar33892256
Protoporphyrinogen IX,1TBDMS,isomer #1C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)[NH]2)[NH]5)[NH]4)[NH]35292.7Semi standard non polar33892256
Protoporphyrinogen IX,1TBDMS,isomer #2C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O[Si](C)(C)C(C)(C)C)C(C)=C(CC(=C1C)[NH]2)[NH]5)[NH]4)[NH]35292.8Semi standard non polar33892256
Protoporphyrinogen IX,1TBDMS,isomer #3C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C(C)(C)C)[NH]4)[NH]35322.2Semi standard non polar33892256
Protoporphyrinogen IX,1TBDMS,isomer #4C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)[NH]2)[NH]5)N4[Si](C)(C)C(C)(C)C)[NH]35329.2Semi standard non polar33892256
Protoporphyrinogen IX,1TBDMS,isomer #5C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)[NH]2)[NH]5)[NH]4)N3[Si](C)(C)C(C)(C)C5281.3Semi standard non polar33892256
Protoporphyrinogen IX,1TBDMS,isomer #6C=CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C(C)(C)C)[NH]4)[NH]35277.3Semi standard non polar33892256
Protoporphyrinogen IX,2TBDMS,isomer #1C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(CC5=C(CCC(=O)O[Si](C)(C)C(C)(C)C)C(C)=C(CC(=C1C)[NH]2)[NH]5)[NH]4)[NH]35355.0Semi standard non polar33892256
Protoporphyrinogen IX,2TBDMS,isomer #10C=CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C(C)(C)C)N4[Si](C)(C)C(C)(C)C)[NH]35443.3Semi standard non polar33892256
Protoporphyrinogen IX,2TBDMS,isomer #11C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C(C)(C)C)N4[Si](C)(C)C(C)(C)C)[NH]35491.6Semi standard non polar33892256
Protoporphyrinogen IX,2TBDMS,isomer #12C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C(C)(C)C)[NH]4)N3[Si](C)(C)C(C)(C)C5437.2Semi standard non polar33892256
Protoporphyrinogen IX,2TBDMS,isomer #13C=CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C(C)(C)C)[NH]4)N3[Si](C)(C)C(C)(C)C5439.1Semi standard non polar33892256
Protoporphyrinogen IX,2TBDMS,isomer #14C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)[NH]2)[NH]5)N4[Si](C)(C)C(C)(C)C)N3[Si](C)(C)C(C)(C)C5453.1Semi standard non polar33892256
Protoporphyrinogen IX,2TBDMS,isomer #15C=CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)N2[Si](C)(C)C(C)(C)C)N5[Si](C)(C)C(C)(C)C)[NH]4)[NH]35409.5Semi standard non polar33892256
Protoporphyrinogen IX,2TBDMS,isomer #2C=CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C(C)(C)C)[NH]4)[NH]35404.3Semi standard non polar33892256
Protoporphyrinogen IX,2TBDMS,isomer #3C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C(C)(C)C)[NH]4)[NH]35437.0Semi standard non polar33892256
Protoporphyrinogen IX,2TBDMS,isomer #4C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)[NH]2)[NH]5)N4[Si](C)(C)C(C)(C)C)[NH]35438.5Semi standard non polar33892256
Protoporphyrinogen IX,2TBDMS,isomer #5C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1C)[NH]2)[NH]5)[NH]4)N3[Si](C)(C)C(C)(C)C5407.4Semi standard non polar33892256
Protoporphyrinogen IX,2TBDMS,isomer #6C=CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O[Si](C)(C)C(C)(C)C)C(C)=C(CC5=C(C)C(C=C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C(C)(C)C)[NH]4)[NH]35404.5Semi standard non polar33892256
Protoporphyrinogen IX,2TBDMS,isomer #7C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O[Si](C)(C)C(C)(C)C)C(C)=C(CC(=C1C)[NH]2)N5[Si](C)(C)C(C)(C)C)[NH]4)[NH]35433.9Semi standard non polar33892256
Protoporphyrinogen IX,2TBDMS,isomer #8C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O[Si](C)(C)C(C)(C)C)C(C)=C(CC(=C1C)[NH]2)[NH]5)N4[Si](C)(C)C(C)(C)C)[NH]35441.9Semi standard non polar33892256
Protoporphyrinogen IX,2TBDMS,isomer #9C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O[Si](C)(C)C(C)(C)C)C(C)=C(CC(=C1C)[NH]2)[NH]5)[NH]4)N3[Si](C)(C)C(C)(C)C5407.4Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Protoporphyrinogen IX GC-MS (Non-derivatized) - 70eV, Positivesplash10-0pi3-1000190000-2785151d048ffcfdafc12017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Protoporphyrinogen IX GC-MS (1 TMS) - 70eV, Positivesplash10-00bc-9000053000-45009d4bbcc7a57d2e8b2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Protoporphyrinogen IX GC-MS ("Protoporphyrinogen IX,1TMS,#1" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Protoporphyrinogen IX GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Protoporphyrinogen IX GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Protoporphyrinogen IX GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Protoporphyrinogen IX GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Protoporphyrinogen IX GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Protoporphyrinogen IX GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Protoporphyrinogen IX GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Protoporphyrinogen IX GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Protoporphyrinogen IX GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Protoporphyrinogen IX GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Protoporphyrinogen IX GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Protoporphyrinogen IX GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Protoporphyrinogen IX GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Protoporphyrinogen IX GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Protoporphyrinogen IX GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Protoporphyrinogen IX GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Protoporphyrinogen IX GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Protoporphyrinogen IX GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Protoporphyrinogen IX GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Protoporphyrinogen IX GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Protoporphyrinogen IX GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Protoporphyrinogen IX GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Protoporphyrinogen IX 10V, Positive-QTOFsplash10-0udi-0000190000-7c4ce83e3be73bfccdf62015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Protoporphyrinogen IX 20V, Positive-QTOFsplash10-0pi0-0000490000-affa2d20d85ce7a5a2a12015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Protoporphyrinogen IX 40V, Positive-QTOFsplash10-03dj-0020900000-a1714c4d96457c66da572015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Protoporphyrinogen IX 10V, Negative-QTOFsplash10-014i-0000090000-4148fa37b5b91e3b5a922015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Protoporphyrinogen IX 20V, Negative-QTOFsplash10-05tb-1000090000-27a9f5ba745bc29e2b222015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Protoporphyrinogen IX 40V, Negative-QTOFsplash10-0a4i-9000260000-392765703d0911aa98fc2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Protoporphyrinogen IX 10V, Positive-QTOFsplash10-0gb9-0000090000-9a1be7ce809937d549382021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Protoporphyrinogen IX 20V, Positive-QTOFsplash10-0ldi-0000190000-1a53eff6b6eaea2bd1a82021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Protoporphyrinogen IX 40V, Positive-QTOFsplash10-0a4i-0000790000-030a68500ee48fd68e342021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Protoporphyrinogen IX 10V, Negative-QTOFsplash10-014j-0000090000-4f79e644c71d1a64565b2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Protoporphyrinogen IX 20V, Negative-QTOFsplash10-014j-0000090000-8599f24133cbc58316eb2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Protoporphyrinogen IX 40V, Negative-QTOFsplash10-0a4i-1000950000-a5525829d1d51b8650b02021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Membrane (predicted from logP)
  • Mitochondria
Biospecimen LocationsNot Available
Tissue Locations
  • Liver
  • Placenta
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 IDFDB022425
KNApSAcK IDC00007371
Chemspider ID108741
KEGG Compound IDC01079
BioCyc IDPROTOPORPHYRINOGEN
BiGG ID36764
Wikipedia LinkProtoporphyrinogen IX
METLIN ID6003
PubChem Compound121893
PDB IDNot Available
ChEBI ID15435
Food Biomarker OntologyNot Available
VMH IDPPPG9
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Wan J, Zhang L, Yang G, Zhan CG: Quantitative structure-activity relationship for cyclic imide derivatives of protoporphyrinogen oxidase inhibitors: a study of quantum chemical descriptors from density functional theory. J Chem Inf Comput Sci. 2004 Nov-Dec;44(6):2099-105. [PubMed:15554680 ]
  2. Herrick AL, Moore MR, Thompson GG, Ford GP, McColl KE: Cholelithiasis in patients with variegate porphyria. J Hepatol. 1991 Jan;12(1):50-3. [PubMed:2007776 ]
  3. Krijt J, Stranska P, Maruna P, Vokurka M, Sanitrak J: Herbicide-induced experimental variegate porphyria in mice: tissue porphyrinogen accumulation and response to porphyrogenic drugs. Can J Physiol Pharmacol. 1997 Oct-Nov;75(10-11):1181-7. [PubMed:9431441 ]
  4. Bloomer JR: Enzyme defects in the porphyrias and their relevance to the biochemical abnormalities in these disorders. J Invest Dermatol. 1981 Jul;77(1):102-6. [PubMed:7252240 ]
  5. de Villiers JN, Kotze MJ, van Heerden CJ, Sadie A, Gardner HF, Liebenberg J, van Zyl R, du Plessis L, Kimberg M, Frank J, Warnich L: Overrepresentation of the founder PPOX gene mutation R59W in a South African patient with severe clinical manifestation of porphyria. Exp Dermatol. 2005 Jan;14(1):50-5. [PubMed:15660919 ]
  6. Corrigall AV, Hift RJ, Adams PA, Kirsch RE: Inhibition of mammalian protoporphyrinogen oxidase by acifluorfen. Biochem Mol Biol Int. 1994 Dec;34(6):1283-9. [PubMed:7697001 ]
  7. Cox TM, Jack N, Lofthouse S, Watling J, Haines J, Warren MJ: King George III and porphyria: an elemental hypothesis and investigation. Lancet. 2005 Jul 23-29;366(9482):332-5. [PubMed:16039338 ]
  8. Winkelman JW, Collins GH: Neurotoxicity of tetraphenylporphinesulfonate TPPS4 and its relation to photodynamic therapy. Photochem Photobiol. 1987 Nov;46(5):801-7. [PubMed:3441503 ]

Enzymes

General function:
Involved in coproporphyrinogen oxidase activity
Specific function:
Key enzyme in heme biosynthesis. Catalyzes the oxidative decarboxylation of propionic acid side chains of rings A and B of coproporphyrinogen III.
Gene Name:
CPOX
Uniprot ID:
P36551
Molecular weight:
50151.605
Reactions
Coproporphyrinogen III + Oxygen + Hydrogen Ion → Protoporphyrinogen IX + CO(2) + Waterdetails
Coproporphyrinogen III + Oxygen → Protoporphyrinogen IX + Carbon dioxide + Waterdetails
General function:
Involved in catalytic activity
Specific function:
Catalyzes the 6-electron oxidation of protoporphyrinogen-IX to form protoporphyrin-IX.
Gene Name:
PPOX
Uniprot ID:
P50336
Molecular weight:
50764.8
Reactions
Protoporphyrinogen IX + Oxygen → Protoporphyrin IX + Hydrogen peroxidedetails
Protoporphyrinogen IX + Oxygen → Protoporphyrin IX + Hydrogen peroxidedetails