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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2006-03-08 15:05:29 UTC
Update Date2021-09-14 15:48:27 UTC
HMDB IDHMDB0001898
Secondary Accession Numbers
  • HMDB01898
Metabolite Identification
Common NameMesobilirubinogen
DescriptionMesobilirubinogen (also known as I-urobilinogen) is a tetrapyrrole chemical compound that is closely related to two other compounds: urobilinogen (also known as D-urobilinogen) and stercobilinogen (also known as L-urobilinogen). Specifically, urobilinogen can be reduced to form mesobilirubinogen, and mesobilirubinogen can be further reduced to form stercobilinogen. Confusingly, all three of these compounds are frequently collectively referred to as "urobilinogens". Urobilinogen is the parent compound of both stercobilin (the pigment that is responsible for the brown colour of feces) and urobilin (the pigment that is responsible for the yellow colour of urine). Urobilinogen is formed through the microbial degradation of its parent compound bilirubin. Urobilinogen is actually generated through the degradation of heme, the red pigment in hemoglobin and red blood cells (RBCs). RBCs have a life span of about 120 days. When the RBCs have reached the end of their useful lifespan, the cells are engulfed by macrophages and their constituents recycled or disposed of. Heme is broken down when the heme ring is opened by the enzyme known as heme oxygenase, which is found in the endoplasmic reticulum of the macrophages. The oxidation process produces the linear tetrapyrrole known as biliverdin along with ferric iron (Fe3+), and carbon monoxide (CO). In the next reaction, a second methylene group (located between rings III and IV of the porphyrin ring) is reduced by the enzyme known as biliverdin reductase, producing bilirubin. Bilirubin is significantly less extensively conjugated than biliverdin. This reduction causes a change in the colour of the biliverdin molecule from blue-green (vert or verd for green) to yellow-red, which is the colour of bilirubin (ruby or rubi for red). In plasma, virtually all the bilirubin is tightly bound to plasma proteins, largely albumin, because it is only sparingly soluble in aqueous solutions at physiological pH. In the sinusoids, unconjugated bilirubin dissociates from albumin, enters the liver cells across the cell membrane through non-ionic diffusion to the smooth endoplasmatic reticulum. In hepatocytes, bilirubin-UDP-glucuronyltransferase (bilirubin-UGT) adds 2 additional glucuronic acid molecules to bilirubin to produce the more water-soluble version of the molecule known as bilirubin diglucuronide. The bilirubin diglucuronide is transferred rapidly across the canalicular membrane into the bile canaliculi where it is then excreted as bile into the large intestine. The bilirubin is further degraded (reduced) by microbes present in the large intestine to form a colourless product known as urobilinogen. Urobilinogen that remains in the colon can either be reduced to stercobilinogen and finally oxidized to stercobilin, or it can be directly reduced to stercobilin. Some of the urobilinogen produced by the gut bacteria is reabsorbed and re-enters the enterohepatic circulation. This reabsorbed urobilinogen is oxidized and converted to urobilin. The urobilin is processed through the kidneys and then excreted in the urine, which causes the yellowish colour in urine.
Structure
Data?1582752215
Synonyms
ValueSource
2,17-Diethyl-1,4,5,10,15,16,19,22,23,24-decahydro-3,7,13,18-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic acidChEBI
8,12-Bis(2-carboxyethyl)-3,18-diethyl-2,7,13,17-tetramethylbilane-1,19(4H,16H)-dioneChEBI
I-urobilinogenChEBI
Mesobilirubinogen ixalphaChEBI
Urobilinogen ixalphaChEBI
UrobilinogenKegg
2,17-Diethyl-1,4,5,10,15,16,19,22,23,24-decahydro-3,7,13,18-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoateGenerator
2,17-Diethyl-1,4,5,10,15,16,19,22,23,24-decahydro-3,7,13,18-tetramethyl-1,19-dioxo-biline-8,12-dipropionic acidHMDB
MesobilirubinogenChEBI
Mesobilirubinogen IXαHMDB
Urobilinogen IXαHMDB
Chemical FormulaC33H44N4O6
Average Molecular Weight592.7257
Monoisotopic Molecular Weight592.32608516
IUPAC Name3-(2-{[3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methyl}-5-[(3-ethyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-3-yl)propanoic acid
Traditional Nameurobilinogen
CAS Registry Number14684-37-8
SMILES
CCC1=C(C)C(=O)NC1CC1=C(C)C(CCC(O)=O)=C(CC2=C(CCC(O)=O)C(C)=C(CC3NC(=O)C(CC)=C3C)N2)N1
InChI Identifier
InChI=1S/C33H44N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h26-27,34-35H,7-15H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)
InChI KeyOBHRVMZSZIDDEK-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as bilirubins. These are organic compounds containing a dicarboxylic acyclic tetrapyrrole derivative.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassTetrapyrroles and derivatives
Sub ClassBilirubins
Direct ParentBilirubins
Alternative Parents
Substituents
  • Bilirubin skeleton
  • Dicarboxylic acid or derivatives
  • Substituted pyrrole
  • Pyrrole
  • Pyrroline
  • Heteroaromatic compound
  • Secondary carboxylic acid amide
  • Lactam
  • Carboxamide group
  • Azacycle
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organopnictogen compound
  • Organic nitrogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxygen compound
  • Carbonyl group
  • Hydrocarbon derivative
  • Organic oxide
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
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
LogP1.969Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.017 g/LALOGPS
logP3.11ALOGPS
logP3.77ChemAxon
logS-4.5ALOGPS
pKa (Strongest Acidic)4.06ChemAxon
pKa (Strongest Basic)-0.018ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area164.38 ŲChemAxon
Rotatable Bond Count14ChemAxon
Refractivity166.04 m³·mol⁻¹ChemAxon
Polarizability67.38 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+241.48731661259
DarkChem[M-H]-235.1331661259
AllCCS[M+H]+241.8732859911
AllCCS[M-H]-243.92232859911
DeepCCS[M+H]+232.030932474
DeepCCS[M-H]-229.60530932474
DeepCCS[M-2H]-262.80430932474
DeepCCS[M+Na]+237.74530932474
AllCCS[M+H]+241.932859911
AllCCS[M+H-H2O]+240.532859911
AllCCS[M+NH4]+243.132859911
AllCCS[M+Na]+243.532859911
AllCCS[M-H]-243.932859911
AllCCS[M+Na-2H]-247.532859911
AllCCS[M+HCOO]-251.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
MesobilirubinogenCCC1=C(C)C(=O)NC1CC1=C(C)C(CCC(O)=O)=C(CC2=C(CCC(O)=O)C(C)=C(CC3NC(=O)C(CC)=C3C)N2)N16938.2Standard polar33892256
MesobilirubinogenCCC1=C(C)C(=O)NC1CC1=C(C)C(CCC(O)=O)=C(CC2=C(CCC(O)=O)C(C)=C(CC3NC(=O)C(CC)=C3C)N2)N14014.9Standard non polar33892256
MesobilirubinogenCCC1=C(C)C(=O)NC1CC1=C(C)C(CCC(O)=O)=C(CC2=C(CCC(O)=O)C(C)=C(CC3NC(=O)C(CC)=C3C)N2)N15419.3Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Mesobilirubinogen,1TMS,isomer #1CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4NC(=O)C(C)=C4CC)[NH]3)[NH]2)NC1=O5139.3Semi standard non polar33892256
Mesobilirubinogen,1TMS,isomer #2CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(CC4NC(=O)C(C)=C4CC)[NH]3)[NH]2)NC1=O5139.3Semi standard non polar33892256
Mesobilirubinogen,1TMS,isomer #3CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)[NH]2)NC1=O5061.1Semi standard non polar33892256
Mesobilirubinogen,1TMS,isomer #4CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(CC4NC(=O)C(C)=C4CC)[NH]3)[NH]2)N([Si](C)(C)C)C1=O5049.7Semi standard non polar33892256
Mesobilirubinogen,1TMS,isomer #5CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(CC4NC(=O)C(C)=C4CC)[NH]3)N2[Si](C)(C)C)NC1=O5191.7Semi standard non polar33892256
Mesobilirubinogen,1TMS,isomer #6CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(CC4NC(=O)C(C)=C4CC)N3[Si](C)(C)C)[NH]2)NC1=O5197.2Semi standard non polar33892256
Mesobilirubinogen,2TMS,isomer #1CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4NC(=O)C(C)=C4CC)[NH]3)[NH]2)NC1=O5021.3Semi standard non polar33892256
Mesobilirubinogen,2TMS,isomer #10CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)NC1=O5013.5Semi standard non polar33892256
Mesobilirubinogen,2TMS,isomer #11CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)NC1=O5022.9Semi standard non polar33892256
Mesobilirubinogen,2TMS,isomer #12CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)[NH]2)N([Si](C)(C)C)C1=O4827.4Semi standard non polar33892256
Mesobilirubinogen,2TMS,isomer #13CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(CC4NC(=O)C(C)=C4CC)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O4997.9Semi standard non polar33892256
Mesobilirubinogen,2TMS,isomer #14CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(CC4NC(=O)C(C)=C4CC)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O4997.8Semi standard non polar33892256
Mesobilirubinogen,2TMS,isomer #15CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(CC4NC(=O)C(C)=C4CC)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O5141.7Semi standard non polar33892256
Mesobilirubinogen,2TMS,isomer #2CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4NC(=O)C(C)=C4CC)[NH]3)N2[Si](C)(C)C)NC1=O5080.9Semi standard non polar33892256
Mesobilirubinogen,2TMS,isomer #3CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4NC(=O)C(C)=C4CC)N3[Si](C)(C)C)[NH]2)NC1=O5078.4Semi standard non polar33892256
Mesobilirubinogen,2TMS,isomer #4CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)[NH]2)NC1=O4939.7Semi standard non polar33892256
Mesobilirubinogen,2TMS,isomer #5CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4NC(=O)C(C)=C4CC)[NH]3)[NH]2)N([Si](C)(C)C)C1=O4920.0Semi standard non polar33892256
Mesobilirubinogen,2TMS,isomer #6CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(CC4NC(=O)C(C)=C4CC)[NH]3)N2[Si](C)(C)C)NC1=O5074.9Semi standard non polar33892256
Mesobilirubinogen,2TMS,isomer #7CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(CC4NC(=O)C(C)=C4CC)N3[Si](C)(C)C)[NH]2)NC1=O5084.8Semi standard non polar33892256
Mesobilirubinogen,2TMS,isomer #8CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)[NH]2)NC1=O4939.8Semi standard non polar33892256
Mesobilirubinogen,2TMS,isomer #9CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(CC4NC(=O)C(C)=C4CC)[NH]3)[NH]2)N([Si](C)(C)C)C1=O4919.7Semi standard non polar33892256
Mesobilirubinogen,3TMS,isomer #1CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4NC(=O)C(C)=C4CC)[NH]3)N2[Si](C)(C)C)NC1=O4959.6Semi standard non polar33892256
Mesobilirubinogen,3TMS,isomer #1CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4NC(=O)C(C)=C4CC)[NH]3)N2[Si](C)(C)C)NC1=O4765.3Standard non polar33892256
Mesobilirubinogen,3TMS,isomer #1CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4NC(=O)C(C)=C4CC)[NH]3)N2[Si](C)(C)C)NC1=O6296.4Standard polar33892256
Mesobilirubinogen,3TMS,isomer #10CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)[NH]2)N([Si](C)(C)C)C1=O4712.3Semi standard non polar33892256
Mesobilirubinogen,3TMS,isomer #10CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)[NH]2)N([Si](C)(C)C)C1=O4621.2Standard non polar33892256
Mesobilirubinogen,3TMS,isomer #10CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)[NH]2)N([Si](C)(C)C)C1=O5764.1Standard polar33892256
Mesobilirubinogen,3TMS,isomer #11CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(CC4NC(=O)C(C)=C4CC)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O5017.2Semi standard non polar33892256
Mesobilirubinogen,3TMS,isomer #11CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(CC4NC(=O)C(C)=C4CC)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O4859.2Standard non polar33892256
Mesobilirubinogen,3TMS,isomer #11CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(CC4NC(=O)C(C)=C4CC)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O6369.3Standard polar33892256
Mesobilirubinogen,3TMS,isomer #12CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)NC1=O4886.6Semi standard non polar33892256
Mesobilirubinogen,3TMS,isomer #12CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)NC1=O4737.2Standard non polar33892256
Mesobilirubinogen,3TMS,isomer #12CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)NC1=O6032.5Standard polar33892256
Mesobilirubinogen,3TMS,isomer #13CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(CC4NC(=O)C(C)=C4CC)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O4869.2Semi standard non polar33892256
Mesobilirubinogen,3TMS,isomer #13CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(CC4NC(=O)C(C)=C4CC)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O4733.9Standard non polar33892256
Mesobilirubinogen,3TMS,isomer #13CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(CC4NC(=O)C(C)=C4CC)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O6096.4Standard polar33892256
Mesobilirubinogen,3TMS,isomer #14CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)NC1=O4905.2Semi standard non polar33892256
Mesobilirubinogen,3TMS,isomer #14CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)NC1=O4746.9Standard non polar33892256
Mesobilirubinogen,3TMS,isomer #14CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)NC1=O6041.2Standard polar33892256
Mesobilirubinogen,3TMS,isomer #15CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(CC4NC(=O)C(C)=C4CC)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O4867.4Semi standard non polar33892256
Mesobilirubinogen,3TMS,isomer #15CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(CC4NC(=O)C(C)=C4CC)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O4732.0Standard non polar33892256
Mesobilirubinogen,3TMS,isomer #15CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(CC4NC(=O)C(C)=C4CC)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O6102.1Standard polar33892256
Mesobilirubinogen,3TMS,isomer #16CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)[NH]2)N([Si](C)(C)C)C1=O4712.3Semi standard non polar33892256
Mesobilirubinogen,3TMS,isomer #16CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)[NH]2)N([Si](C)(C)C)C1=O4621.2Standard non polar33892256
Mesobilirubinogen,3TMS,isomer #16CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)[NH]2)N([Si](C)(C)C)C1=O5764.1Standard polar33892256
Mesobilirubinogen,3TMS,isomer #17CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O5016.4Semi standard non polar33892256
Mesobilirubinogen,3TMS,isomer #17CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O4827.0Standard non polar33892256
Mesobilirubinogen,3TMS,isomer #17CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O6142.9Standard polar33892256
Mesobilirubinogen,3TMS,isomer #18CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O4829.1Semi standard non polar33892256
Mesobilirubinogen,3TMS,isomer #18CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O4706.6Standard non polar33892256
Mesobilirubinogen,3TMS,isomer #18CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O5880.0Standard polar33892256
Mesobilirubinogen,3TMS,isomer #19CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O4834.8Semi standard non polar33892256
Mesobilirubinogen,3TMS,isomer #19CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O4708.6Standard non polar33892256
Mesobilirubinogen,3TMS,isomer #19CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O5880.1Standard polar33892256
Mesobilirubinogen,3TMS,isomer #2CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4NC(=O)C(C)=C4CC)N3[Si](C)(C)C)[NH]2)NC1=O4963.7Semi standard non polar33892256
Mesobilirubinogen,3TMS,isomer #2CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4NC(=O)C(C)=C4CC)N3[Si](C)(C)C)[NH]2)NC1=O4772.4Standard non polar33892256
Mesobilirubinogen,3TMS,isomer #2CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4NC(=O)C(C)=C4CC)N3[Si](C)(C)C)[NH]2)NC1=O6296.7Standard polar33892256
Mesobilirubinogen,3TMS,isomer #20CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(CC4NC(=O)C(C)=C4CC)N3[Si](C)(C)C)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O4976.9Semi standard non polar33892256
Mesobilirubinogen,3TMS,isomer #20CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(CC4NC(=O)C(C)=C4CC)N3[Si](C)(C)C)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O4831.2Standard non polar33892256
Mesobilirubinogen,3TMS,isomer #20CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(CC4NC(=O)C(C)=C4CC)N3[Si](C)(C)C)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O6205.2Standard polar33892256
Mesobilirubinogen,3TMS,isomer #3CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)[NH]2)NC1=O4841.7Semi standard non polar33892256
Mesobilirubinogen,3TMS,isomer #3CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)[NH]2)NC1=O4661.2Standard non polar33892256
Mesobilirubinogen,3TMS,isomer #3CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)[NH]2)NC1=O5946.3Standard polar33892256
Mesobilirubinogen,3TMS,isomer #4CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4NC(=O)C(C)=C4CC)[NH]3)[NH]2)N([Si](C)(C)C)C1=O4813.3Semi standard non polar33892256
Mesobilirubinogen,3TMS,isomer #4CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4NC(=O)C(C)=C4CC)[NH]3)[NH]2)N([Si](C)(C)C)C1=O4648.8Standard non polar33892256
Mesobilirubinogen,3TMS,isomer #4CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4NC(=O)C(C)=C4CC)[NH]3)[NH]2)N([Si](C)(C)C)C1=O6012.3Standard polar33892256
Mesobilirubinogen,3TMS,isomer #5CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4NC(=O)C(C)=C4CC)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O5017.2Semi standard non polar33892256
Mesobilirubinogen,3TMS,isomer #5CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4NC(=O)C(C)=C4CC)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O4859.2Standard non polar33892256
Mesobilirubinogen,3TMS,isomer #5CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4NC(=O)C(C)=C4CC)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O6369.3Standard polar33892256
Mesobilirubinogen,3TMS,isomer #6CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)NC1=O4890.8Semi standard non polar33892256
Mesobilirubinogen,3TMS,isomer #6CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)NC1=O4736.7Standard non polar33892256
Mesobilirubinogen,3TMS,isomer #6CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)NC1=O6039.4Standard polar33892256
Mesobilirubinogen,3TMS,isomer #7CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4NC(=O)C(C)=C4CC)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O4874.0Semi standard non polar33892256
Mesobilirubinogen,3TMS,isomer #7CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4NC(=O)C(C)=C4CC)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O4734.0Standard non polar33892256
Mesobilirubinogen,3TMS,isomer #7CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4NC(=O)C(C)=C4CC)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O6103.6Standard polar33892256
Mesobilirubinogen,3TMS,isomer #8CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)NC1=O4901.4Semi standard non polar33892256
Mesobilirubinogen,3TMS,isomer #8CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)NC1=O4747.2Standard non polar33892256
Mesobilirubinogen,3TMS,isomer #8CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)NC1=O6034.2Standard polar33892256
Mesobilirubinogen,3TMS,isomer #9CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4NC(=O)C(C)=C4CC)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O4862.9Semi standard non polar33892256
Mesobilirubinogen,3TMS,isomer #9CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4NC(=O)C(C)=C4CC)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O4732.0Standard non polar33892256
Mesobilirubinogen,3TMS,isomer #9CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4NC(=O)C(C)=C4CC)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O6094.9Standard polar33892256
Mesobilirubinogen,4TMS,isomer #1CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4NC(=O)C(C)=C4CC)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O4916.2Semi standard non polar33892256
Mesobilirubinogen,4TMS,isomer #1CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4NC(=O)C(C)=C4CC)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O4832.7Standard non polar33892256
Mesobilirubinogen,4TMS,isomer #1CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4NC(=O)C(C)=C4CC)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O6064.2Standard polar33892256
Mesobilirubinogen,4TMS,isomer #10CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O4743.7Semi standard non polar33892256
Mesobilirubinogen,4TMS,isomer #10CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O4699.9Standard non polar33892256
Mesobilirubinogen,4TMS,isomer #10CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O5595.6Standard polar33892256
Mesobilirubinogen,4TMS,isomer #11CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O4900.8Semi standard non polar33892256
Mesobilirubinogen,4TMS,isomer #11CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O4807.4Standard non polar33892256
Mesobilirubinogen,4TMS,isomer #11CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O5841.1Standard polar33892256
Mesobilirubinogen,4TMS,isomer #12CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(CC4NC(=O)C(C)=C4CC)N3[Si](C)(C)C)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O4862.3Semi standard non polar33892256
Mesobilirubinogen,4TMS,isomer #12CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(CC4NC(=O)C(C)=C4CC)N3[Si](C)(C)C)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O4804.4Standard non polar33892256
Mesobilirubinogen,4TMS,isomer #12CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(CC4NC(=O)C(C)=C4CC)N3[Si](C)(C)C)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O5907.6Standard polar33892256
Mesobilirubinogen,4TMS,isomer #13CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O4738.5Semi standard non polar33892256
Mesobilirubinogen,4TMS,isomer #13CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O4698.9Standard non polar33892256
Mesobilirubinogen,4TMS,isomer #13CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O5595.3Standard polar33892256
Mesobilirubinogen,4TMS,isomer #14CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O4745.5Semi standard non polar33892256
Mesobilirubinogen,4TMS,isomer #14CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O4699.4Standard non polar33892256
Mesobilirubinogen,4TMS,isomer #14CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O5602.2Standard polar33892256
Mesobilirubinogen,4TMS,isomer #15CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O4906.7Semi standard non polar33892256
Mesobilirubinogen,4TMS,isomer #15CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O4782.1Standard non polar33892256
Mesobilirubinogen,4TMS,isomer #15CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O5723.3Standard polar33892256
Mesobilirubinogen,4TMS,isomer #2CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)NC1=O4808.6Semi standard non polar33892256
Mesobilirubinogen,4TMS,isomer #2CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)NC1=O4721.7Standard non polar33892256
Mesobilirubinogen,4TMS,isomer #2CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)NC1=O5738.5Standard polar33892256
Mesobilirubinogen,4TMS,isomer #3CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4NC(=O)C(C)=C4CC)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O4797.2Semi standard non polar33892256
Mesobilirubinogen,4TMS,isomer #3CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4NC(=O)C(C)=C4CC)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O4713.9Standard non polar33892256
Mesobilirubinogen,4TMS,isomer #3CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4NC(=O)C(C)=C4CC)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O5807.8Standard polar33892256
Mesobilirubinogen,4TMS,isomer #4CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)NC1=O4827.9Semi standard non polar33892256
Mesobilirubinogen,4TMS,isomer #4CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)NC1=O4730.2Standard non polar33892256
Mesobilirubinogen,4TMS,isomer #4CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)NC1=O5740.8Standard polar33892256
Mesobilirubinogen,4TMS,isomer #5CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4NC(=O)C(C)=C4CC)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O4782.0Semi standard non polar33892256
Mesobilirubinogen,4TMS,isomer #5CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4NC(=O)C(C)=C4CC)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O4709.7Standard non polar33892256
Mesobilirubinogen,4TMS,isomer #5CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4NC(=O)C(C)=C4CC)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O5807.1Standard polar33892256
Mesobilirubinogen,4TMS,isomer #6CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)[NH]2)N([Si](C)(C)C)C1=O4656.7Semi standard non polar33892256
Mesobilirubinogen,4TMS,isomer #6CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)[NH]2)N([Si](C)(C)C)C1=O4611.2Standard non polar33892256
Mesobilirubinogen,4TMS,isomer #6CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)[NH]2)N([Si](C)(C)C)C1=O5484.6Standard polar33892256
Mesobilirubinogen,4TMS,isomer #7CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O4900.8Semi standard non polar33892256
Mesobilirubinogen,4TMS,isomer #7CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O4807.4Standard non polar33892256
Mesobilirubinogen,4TMS,isomer #7CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O5841.2Standard polar33892256
Mesobilirubinogen,4TMS,isomer #8CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4NC(=O)C(C)=C4CC)N3[Si](C)(C)C)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O4862.3Semi standard non polar33892256
Mesobilirubinogen,4TMS,isomer #8CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4NC(=O)C(C)=C4CC)N3[Si](C)(C)C)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O4804.5Standard non polar33892256
Mesobilirubinogen,4TMS,isomer #8CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4NC(=O)C(C)=C4CC)N3[Si](C)(C)C)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O5907.5Standard polar33892256
Mesobilirubinogen,4TMS,isomer #9CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O4739.9Semi standard non polar33892256
Mesobilirubinogen,4TMS,isomer #9CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O4698.6Standard non polar33892256
Mesobilirubinogen,4TMS,isomer #9CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O5601.9Standard polar33892256
Mesobilirubinogen,1TBDMS,isomer #1CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C(C)(C)C)C(C)=C(CC4NC(=O)C(C)=C4CC)[NH]3)[NH]2)NC1=O5363.8Semi standard non polar33892256
Mesobilirubinogen,1TBDMS,isomer #2CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(CC4NC(=O)C(C)=C4CC)[NH]3)[NH]2)NC1=O5363.8Semi standard non polar33892256
Mesobilirubinogen,1TBDMS,isomer #3CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C(C)(C)C)[NH]3)[NH]2)NC1=O5315.4Semi standard non polar33892256
Mesobilirubinogen,1TBDMS,isomer #4CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(CC4NC(=O)C(C)=C4CC)[NH]3)[NH]2)N([Si](C)(C)C(C)(C)C)C1=O5300.1Semi standard non polar33892256
Mesobilirubinogen,1TBDMS,isomer #5CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(CC4NC(=O)C(C)=C4CC)[NH]3)N2[Si](C)(C)C(C)(C)C)NC1=O5365.1Semi standard non polar33892256
Mesobilirubinogen,1TBDMS,isomer #6CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(CC4NC(=O)C(C)=C4CC)N3[Si](C)(C)C(C)(C)C)[NH]2)NC1=O5371.1Semi standard non polar33892256
Mesobilirubinogen,2TBDMS,isomer #1CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C(C)(C)C)C(C)=C(CC4NC(=O)C(C)=C4CC)[NH]3)[NH]2)NC1=O5401.5Semi standard non polar33892256
Mesobilirubinogen,2TBDMS,isomer #10CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C(C)(C)C)[NH]3)N2[Si](C)(C)C(C)(C)C)NC1=O5416.5Semi standard non polar33892256
Mesobilirubinogen,2TBDMS,isomer #11CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C(C)(C)C)N3[Si](C)(C)C(C)(C)C)[NH]2)NC1=O5432.0Semi standard non polar33892256
Mesobilirubinogen,2TBDMS,isomer #12CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C(C)(C)C)[NH]3)[NH]2)N([Si](C)(C)C(C)(C)C)C1=O5290.1Semi standard non polar33892256
Mesobilirubinogen,2TBDMS,isomer #13CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(CC4NC(=O)C(C)=C4CC)[NH]3)N2[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C1=O5410.4Semi standard non polar33892256
Mesobilirubinogen,2TBDMS,isomer #14CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(CC4NC(=O)C(C)=C4CC)N3[Si](C)(C)C(C)(C)C)[NH]2)N([Si](C)(C)C(C)(C)C)C1=O5403.2Semi standard non polar33892256
Mesobilirubinogen,2TBDMS,isomer #15CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(CC4NC(=O)C(C)=C4CC)N3[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)NC1=O5494.8Semi standard non polar33892256
Mesobilirubinogen,2TBDMS,isomer #2CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C(C)(C)C)C(C)=C(CC4NC(=O)C(C)=C4CC)[NH]3)N2[Si](C)(C)C(C)(C)C)NC1=O5441.5Semi standard non polar33892256
Mesobilirubinogen,2TBDMS,isomer #3CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C(C)(C)C)C(C)=C(CC4NC(=O)C(C)=C4CC)N3[Si](C)(C)C(C)(C)C)[NH]2)NC1=O5441.3Semi standard non polar33892256
Mesobilirubinogen,2TBDMS,isomer #4CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C(C)(C)C)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C(C)(C)C)[NH]3)[NH]2)NC1=O5356.6Semi standard non polar33892256
Mesobilirubinogen,2TBDMS,isomer #5CCC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C(C)(C)C)C(C)=C(CC4NC(=O)C(C)=C4CC)[NH]3)[NH]2)N([Si](C)(C)C(C)(C)C)C1=O5342.7Semi standard non polar33892256
Mesobilirubinogen,2TBDMS,isomer #6CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(CC4NC(=O)C(C)=C4CC)[NH]3)N2[Si](C)(C)C(C)(C)C)NC1=O5437.3Semi standard non polar33892256
Mesobilirubinogen,2TBDMS,isomer #7CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(CC4NC(=O)C(C)=C4CC)N3[Si](C)(C)C(C)(C)C)[NH]2)NC1=O5445.3Semi standard non polar33892256
Mesobilirubinogen,2TBDMS,isomer #8CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(CC4C(CC)=C(C)C(=O)N4[Si](C)(C)C(C)(C)C)[NH]3)[NH]2)NC1=O5357.3Semi standard non polar33892256
Mesobilirubinogen,2TBDMS,isomer #9CCC1=C(C)C(CC2=C(C)C(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(CC4NC(=O)C(C)=C4CC)[NH]3)[NH]2)N([Si](C)(C)C(C)(C)C)C1=O5342.0Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Mesobilirubinogen GC-MS (Non-derivatized) - 70eV, Positivesplash10-00di-6500190000-673e8c4460e3cdbdd8e22017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesobilirubinogen GC-MS (1 TMS) - 70eV, Positivesplash10-00dj-7500019000-dc792020abb23fbb30642017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesobilirubinogen GC-MS ("Mesobilirubinogen,1TMS,#1" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesobilirubinogen GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesobilirubinogen GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesobilirubinogen GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesobilirubinogen GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesobilirubinogen GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesobilirubinogen GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesobilirubinogen GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesobilirubinogen GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesobilirubinogen GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesobilirubinogen GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesobilirubinogen GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesobilirubinogen GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesobilirubinogen GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesobilirubinogen GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesobilirubinogen GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesobilirubinogen GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesobilirubinogen GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesobilirubinogen GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesobilirubinogen GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesobilirubinogen GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesobilirubinogen GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mesobilirubinogen GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Mesobilirubinogen LC-ESI-IT , negative-QTOFsplash10-014i-0060900000-67682461aceaa81b9cc22017-09-14HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mesobilirubinogen 10V, Positive-QTOFsplash10-004i-0000090000-181b914f66e7110dfe7d2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mesobilirubinogen 20V, Positive-QTOFsplash10-00bj-0100290000-875b38ee4fed5fc0ecd82017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mesobilirubinogen 40V, Positive-QTOFsplash10-05n0-1010940000-9f8c080267aa82fc0b962017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mesobilirubinogen 10V, Negative-QTOFsplash10-006x-0000090000-a65bbba494a7e099f9c42017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mesobilirubinogen 20V, Negative-QTOFsplash10-00dm-1100190000-7cf7854534fedc5bbfc12017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mesobilirubinogen 40V, Negative-QTOFsplash10-052f-9010240000-d75cd70ca41532190bfc2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mesobilirubinogen 10V, Positive-QTOFsplash10-0ufr-0011960000-50b1dbb2c2c4f704b5c82021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mesobilirubinogen 20V, Positive-QTOFsplash10-0w4i-0210940000-17857bfc32a5c7d5f66c2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mesobilirubinogen 40V, Positive-QTOFsplash10-008a-4642920000-dd8a11d07863f98ea6f22021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mesobilirubinogen 10V, Negative-QTOFsplash10-0006-0000290000-a18b99b2b4373146a0322021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mesobilirubinogen 20V, Negative-QTOFsplash10-0006-2200890000-cf0c2e6ff644591038b02021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mesobilirubinogen 40V, Negative-QTOFsplash10-000f-4970330000-d515de7fece55949f2712021-09-25Wishart 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
  • Membrane (predicted from logP)
Biospecimen Locations
  • Feces
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB022727
KNApSAcK IDNot Available
Chemspider ID24980
KEGG Compound IDC05790
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkUrobilinogen
METLIN IDNot Available
PubChem Compound26818
PDB IDNot Available
ChEBI ID29026
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceWatson, C. J.; Lightner, D. A.; Moscowitz, A.; Davis, E.; Petryka, Z. J.; Weimer, M. A natural crystalline urobilinogen composed of d- and l-components of differing molecular weight. Proceedings of the National Academy of Sciences of the United States of America (1968), 61(1), 223-8
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Vitek L, Majer F, Muchova L, Zelenka J, Jiraskova A, Branny P, Malina J, Ubik K: Identification of bilirubin reduction products formed by Clostridium perfringens isolated from human neonatal fecal flora. J Chromatogr B Analyt Technol Biomed Life Sci. 2006 Apr 3;833(2):149-57. Epub 2006 Feb 28. [PubMed:16504607 ]