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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2021-09-07 16:24:29 UTC
HMDB IDHMDB0000488
Secondary Accession Numbers
  • HMDB00488
Metabolite Identification
Common Name(4E,15Z)-Bilirubin
Description(4E,15Z)-Bilirubin IXa belongs to the class of organic compounds known as bilirubins. These are organic compounds containing a dicarboxylic acyclic tetrapyrrole derivative. Bilirubin (BR) is a yellow compound that occurs in the normal catabolic pathway that breaks down heme in vertebrates. (4E,15Z)-Bilirubin IXa is a linear tetrapyrrole, and a product of heme degradation. It is a member of the class of compounds known as biladienes. Biladienes consist of two linear tetrapyrroles in which the carbon bridges contain two more double bonds than bilane. (4E,15Z)-Bilirubin IXa is an isomer of bilirubin, which appears to have antioxidant effects. Bilirubin's antioxidant activity may be particularly important in the brain, where it prevents excitotoxicity and neuronal death by scavenging superoxide during N-methyl-D-aspartic acid neurotransmission. (4E,15Z)-Bilirubin IXa is formed by oxidative cleavage of a porphyrin in heme, which first produces biliverdin. Biliverdin is then reduced to bilirubin by biliverdin reductase. Some of the double-bonds in bilirubin isomerize when exposed to light. The E,Z-isomers of bilirubin, such s (4E,15Z)-Bilirubin IXa formed upon light exposure are more soluble than the unilluminated Z,Z-isomer. Altered levels of (4E,15Z)-Bilirubin IXa in human serum have been used as a biomarker of acrylamide exposure (PMID: 28163100 ).
Structure
Data?1589566277
Synonyms
ValueSource
(4E)2,17-Diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo--21H-biline-8,12-dipropanoic acidChEBI
(4E)2,17-Diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo--21H-biline-8,12-dipropanoateGenerator
(4E,15Z)-Bilirubin ixaHMDB
(4E,15Z)-BilirubinHMDB
(4E,15Z)-Bilirubin IXalphaHMDB
(4E,15Z)-Bilirubin IXαHMDB
4E,15Z-Bilirubin IXaHMDB
4E,15Z-Bilirubin IXalphaHMDB
4E,15Z-Bilirubin IXαHMDB
Chemical FormulaC33H36N4O6
Average Molecular Weight584.6621
Monoisotopic Molecular Weight584.263484904
IUPAC Name3-(2-{[3-(2-carboxyethyl)-5-{[(2E)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-2-yl]methyl}-5-{[(2Z)-3-ethenyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid
Traditional Name3-(2-{[3-(2-carboxyethyl)-5-{[(2E)-4-ethenyl-3-methyl-5-oxo-1H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-2-yl]methyl}-5-{[(2Z)-3-ethenyl-4-methyl-5-oxo-1H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid
CAS Registry Number69853-43-6
SMILES
CC1=C(C=C)\C(NC1=O)=C\C1=C(C)C(CCC(O)=O)=C(CC2=C(CCC(O)=O)C(C)=C(N2)\C=C2\NC(=O)C(C=C)=C2C)N1
InChI Identifier
InChI=1S/C33H36N4O6/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/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13+,27-14-
InChI KeyBPYKTIZUTYGOLE-KDUUSRDASA-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
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.0096 g/LALOGPS
logP3.22ALOGPS
logP3.12ChemAxon
logS-4.8ALOGPS
pKa (Strongest Acidic)4.03ChemAxon
pKa (Strongest Basic)-2.8ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area164.38 ŲChemAxon
Rotatable Bond Count12ChemAxon
Refractivity168.9 m³·mol⁻¹ChemAxon
Polarizability65.37 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
AllCCS[M+H]+241.74932859911
AllCCS[M-H]-243.12332859911
DeepCCS[M+H]+235.19130932474
DeepCCS[M-H]-233.21230932474
DeepCCS[M-2H]-266.45430932474
DeepCCS[M+Na]+240.93230932474
AllCCS[M+H]+241.732859911
AllCCS[M+H-H2O]+240.132859911
AllCCS[M+NH4]+243.232859911
AllCCS[M+Na]+243.732859911
AllCCS[M-H]-243.132859911
AllCCS[M+Na-2H]-246.132859911
AllCCS[M+HCOO]-249.632859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
(4E,15Z)-BilirubinCC1=C(C=C)\C(NC1=O)=C\C1=C(C)C(CCC(O)=O)=C(CC2=C(CCC(O)=O)C(C)=C(N2)\C=C2\NC(=O)C(C=C)=C2C)N17378.6Standard polar33892256
(4E,15Z)-BilirubinCC1=C(C=C)\C(NC1=O)=C\C1=C(C)C(CCC(O)=O)=C(CC2=C(CCC(O)=O)C(C)=C(N2)\C=C2\NC(=O)C(C=C)=C2C)N13961.0Standard non polar33892256
(4E,15Z)-BilirubinCC1=C(C=C)\C(NC1=O)=C\C1=C(C)C(CCC(O)=O)=C(CC2=C(CCC(O)=O)C(C)=C(N2)\C=C2\NC(=O)C(C=C)=C2C)N15932.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
(4E,15Z)-Bilirubin,1TMS,isomer #1C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)[NH]2)NC1=O5322.8Semi standard non polar33892256
(4E,15Z)-Bilirubin,1TMS,isomer #2C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)[NH]2)NC1=O5322.9Semi standard non polar33892256
(4E,15Z)-Bilirubin,1TMS,isomer #3C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)[NH]2)NC1=O5164.1Semi standard non polar33892256
(4E,15Z)-Bilirubin,1TMS,isomer #4C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)N2[Si](C)(C)C)NC1=O5376.4Semi standard non polar33892256
(4E,15Z)-Bilirubin,1TMS,isomer #5C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)[NH]2)N([Si](C)(C)C)C1=O5156.0Semi standard non polar33892256
(4E,15Z)-Bilirubin,1TMS,isomer #6C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)[NH]2)NC1=O5380.0Semi standard non polar33892256
(4E,15Z)-Bilirubin,2TMS,isomer #1C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)[NH]2)NC1=O5144.1Semi standard non polar33892256
(4E,15Z)-Bilirubin,2TMS,isomer #10C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)NC1=O5090.5Semi standard non polar33892256
(4E,15Z)-Bilirubin,2TMS,isomer #11C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)NC1=O5101.7Semi standard non polar33892256
(4E,15Z)-Bilirubin,2TMS,isomer #12C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)[NH]2)N([Si](C)(C)C)C1=O4880.4Semi standard non polar33892256
(4E,15Z)-Bilirubin,2TMS,isomer #13C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O5299.0Semi standard non polar33892256
(4E,15Z)-Bilirubin,2TMS,isomer #14C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O5087.7Semi standard non polar33892256
(4E,15Z)-Bilirubin,2TMS,isomer #15C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O5077.8Semi standard non polar33892256
(4E,15Z)-Bilirubin,2TMS,isomer #2C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)N2[Si](C)(C)C)NC1=O5201.1Semi standard non polar33892256
(4E,15Z)-Bilirubin,2TMS,isomer #3C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)[NH]2)NC1=O5204.3Semi standard non polar33892256
(4E,15Z)-Bilirubin,2TMS,isomer #4C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)[NH]2)NC1=O5018.1Semi standard non polar33892256
(4E,15Z)-Bilirubin,2TMS,isomer #5C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)[NH]2)N([Si](C)(C)C)C1=O5010.2Semi standard non polar33892256
(4E,15Z)-Bilirubin,2TMS,isomer #6C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)N2[Si](C)(C)C)NC1=O5200.0Semi standard non polar33892256
(4E,15Z)-Bilirubin,2TMS,isomer #7C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)[NH]2)NC1=O5203.8Semi standard non polar33892256
(4E,15Z)-Bilirubin,2TMS,isomer #8C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)[NH]2)NC1=O5017.7Semi standard non polar33892256
(4E,15Z)-Bilirubin,2TMS,isomer #9C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)[NH]2)N([Si](C)(C)C)C1=O5010.4Semi standard non polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #1C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)N2[Si](C)(C)C)NC1=O5049.5Semi standard non polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #1C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)N2[Si](C)(C)C)NC1=O4650.2Standard non polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #1C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)N2[Si](C)(C)C)NC1=O7011.2Standard polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #10C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)[NH]2)N([Si](C)(C)C)C1=O4754.1Semi standard non polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #10C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)[NH]2)N([Si](C)(C)C)C1=O4148.0Standard non polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #10C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)[NH]2)N([Si](C)(C)C)C1=O6293.9Standard polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #11C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O5142.7Semi standard non polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #11C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O4758.6Standard non polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #11C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O7056.3Standard polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #12C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)NC1=O4956.6Semi standard non polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #12C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)NC1=O4450.3Standard non polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #12C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)NC1=O6697.8Standard polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #13C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O4954.1Semi standard non polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #13C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O4449.7Standard non polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #13C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O6704.1Standard polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #14C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)NC1=O4967.8Semi standard non polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #14C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)NC1=O4459.5Standard non polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #14C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)NC1=O6711.8Standard polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #15C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O4941.6Semi standard non polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #15C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O4443.3Standard non polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #15C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O6709.4Standard polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #16C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)[NH]2)N([Si](C)(C)C)C1=O4754.2Semi standard non polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #16C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)[NH]2)N([Si](C)(C)C)C1=O4147.5Standard non polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #16C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)[NH]2)N([Si](C)(C)C)C1=O6293.9Standard polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #17C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O5070.9Semi standard non polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #17C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O4554.6Standard non polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #17C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O6777.6Standard polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #18C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O4858.8Semi standard non polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #18C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O4226.2Standard non polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #18C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O6360.8Standard polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #19C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O4855.6Semi standard non polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #19C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O4223.1Standard non polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #19C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O6362.1Standard polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #2C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)[NH]2)NC1=O5050.0Semi standard non polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #2C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)[NH]2)NC1=O4652.7Standard non polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #2C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)[NH]2)NC1=O7013.1Standard polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #20C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O5067.6Semi standard non polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #20C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O4548.0Standard non polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #20C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O6773.8Standard polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #3C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)[NH]2)NC1=O4880.1Semi standard non polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #3C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)[NH]2)NC1=O4366.0Standard non polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #3C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)[NH]2)NC1=O6657.5Standard polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #4C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)[NH]2)N([Si](C)(C)C)C1=O4872.4Semi standard non polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #4C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)[NH]2)N([Si](C)(C)C)C1=O4357.8Standard non polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #4C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)[NH]2)N([Si](C)(C)C)C1=O6666.1Standard polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #5C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O5143.0Semi standard non polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #5C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O4758.8Standard non polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #5C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O7056.4Standard polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #6C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)NC1=O4956.8Semi standard non polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #6C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)NC1=O4450.5Standard non polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #6C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)NC1=O6705.8Standard polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #7C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O4952.3Semi standard non polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #7C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O4450.8Standard non polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #7C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O6712.0Standard polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #8C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)NC1=O4968.9Semi standard non polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #8C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)NC1=O4459.4Standard non polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #8C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)NC1=O6703.9Standard polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #9C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O4942.3Semi standard non polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #9C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O4443.5Standard non polar33892256
(4E,15Z)-Bilirubin,3TMS,isomer #9C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O6701.5Standard polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #1C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O4983.7Semi standard non polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #1C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O4738.8Standard non polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #1C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O6778.6Standard polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #10C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O4735.8Semi standard non polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #10C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O4237.9Standard non polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #10C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O6041.7Standard polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #11C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O4942.9Semi standard non polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #11C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O4540.7Standard non polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #11C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O6457.0Standard polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #12C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O4935.5Semi standard non polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #12C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O4532.3Standard non polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #12C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O6460.5Standard polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #13C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O4736.7Semi standard non polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #13C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O4240.6Standard non polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #13C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O6042.1Standard polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #14C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O4735.4Semi standard non polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #14C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O4237.1Standard non polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #14C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O6048.0Standard polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #15C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=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=O4887.2Semi standard non polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #15C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=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=O4311.5Standard non polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #15C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=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=O6122.5Standard polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #2C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)NC1=O4841.6Semi standard non polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #2C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)NC1=O4439.7Standard non polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #2C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)NC1=O6404.0Standard polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #3C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O4842.8Semi standard non polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #3C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O4439.2Standard non polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #3C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O6416.6Standard polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #4C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)NC1=O4851.5Semi standard non polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #4C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)NC1=O4447.6Standard non polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #4C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)NC1=O6407.8Standard polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #5C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O4835.9Semi standard non polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #5C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O4432.5Standard non polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #5C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O6413.7Standard polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #6C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)[NH]2)N([Si](C)(C)C)C1=O4659.8Semi standard non polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #6C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)[NH]2)N([Si](C)(C)C)C1=O4175.7Standard non polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #6C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)[NH]2)N([Si](C)(C)C)C1=O5986.5Standard polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #7C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O4943.2Semi standard non polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #7C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O4541.0Standard non polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #7C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O6457.1Standard polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #8C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O4935.2Semi standard non polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #8C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O4532.9Standard non polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #8C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O6460.5Standard polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #9C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O4736.2Semi standard non polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #9C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O4240.9Standard non polar33892256
(4E,15Z)-Bilirubin,4TMS,isomer #9C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O6048.3Standard polar33892256
(4E,15Z)-Bilirubin,1TBDMS,isomer #1C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C(C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)[NH]2)NC1=O5517.6Semi standard non polar33892256
(4E,15Z)-Bilirubin,1TBDMS,isomer #2C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)[NH]2)NC1=O5517.4Semi standard non polar33892256
(4E,15Z)-Bilirubin,1TBDMS,isomer #3C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C(C)(C)C)[NH]3)[NH]2)NC1=O5397.6Semi standard non polar33892256
(4E,15Z)-Bilirubin,1TBDMS,isomer #4C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)N2[Si](C)(C)C(C)(C)C)NC1=O5504.5Semi standard non polar33892256
(4E,15Z)-Bilirubin,1TBDMS,isomer #5C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)[NH]2)N([Si](C)(C)C(C)(C)C)C1=O5396.1Semi standard non polar33892256
(4E,15Z)-Bilirubin,1TBDMS,isomer #6C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C(C)(C)C)[NH]2)NC1=O5507.7Semi standard non polar33892256
(4E,15Z)-Bilirubin,2TBDMS,isomer #1C=CC1=C(C)/C(=C\C2=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(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)[NH]2)NC1=O5501.1Semi standard non polar33892256
(4E,15Z)-Bilirubin,2TBDMS,isomer #10C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C(C)(C)C)[NH]3)N2[Si](C)(C)C(C)(C)C)NC1=O5443.7Semi standard non polar33892256
(4E,15Z)-Bilirubin,2TBDMS,isomer #11C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C(C)(C)C)N3[Si](C)(C)C(C)(C)C)[NH]2)NC1=O5454.1Semi standard non polar33892256
(4E,15Z)-Bilirubin,2TBDMS,isomer #12C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=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=O5279.2Semi standard non polar33892256
(4E,15Z)-Bilirubin,2TBDMS,isomer #13C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)NC1=O5578.0Semi standard non polar33892256
(4E,15Z)-Bilirubin,2TBDMS,isomer #14C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)N2[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C1=O5448.2Semi standard non polar33892256
(4E,15Z)-Bilirubin,2TBDMS,isomer #15C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C(C)(C)C)[NH]2)N([Si](C)(C)C(C)(C)C)C1=O5435.0Semi standard non polar33892256
(4E,15Z)-Bilirubin,2TBDMS,isomer #2C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C(C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)N2[Si](C)(C)C(C)(C)C)NC1=O5512.2Semi standard non polar33892256
(4E,15Z)-Bilirubin,2TBDMS,isomer #3C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C(C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C(C)(C)C)[NH]2)NC1=O5511.3Semi standard non polar33892256
(4E,15Z)-Bilirubin,2TBDMS,isomer #4C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C(C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C(C)(C)C)[NH]3)[NH]2)NC1=O5394.4Semi standard non polar33892256
(4E,15Z)-Bilirubin,2TBDMS,isomer #5C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C(C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)[NH]2)N([Si](C)(C)C(C)(C)C)C1=O5397.7Semi standard non polar33892256
(4E,15Z)-Bilirubin,2TBDMS,isomer #6C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)N2[Si](C)(C)C(C)(C)C)NC1=O5510.5Semi standard non polar33892256
(4E,15Z)-Bilirubin,2TBDMS,isomer #7C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C(C)(C)C)[NH]2)NC1=O5512.2Semi standard non polar33892256
(4E,15Z)-Bilirubin,2TBDMS,isomer #8C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C(C)(C)C)[NH]3)[NH]2)NC1=O5394.3Semi standard non polar33892256
(4E,15Z)-Bilirubin,2TBDMS,isomer #9C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)[NH]2)N([Si](C)(C)C(C)(C)C)C1=O5398.1Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - (4E,15Z)-Bilirubin GC-MS ("(4E,15Z)-Bilirubin,1TMS,#1" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4E,15Z)-Bilirubin GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4E,15Z)-Bilirubin GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4E,15Z)-Bilirubin GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4E,15Z)-Bilirubin GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4E,15Z)-Bilirubin GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4E,15Z)-Bilirubin GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4E,15Z)-Bilirubin GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4E,15Z)-Bilirubin GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4E,15Z)-Bilirubin GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4E,15Z)-Bilirubin GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4E,15Z)-Bilirubin GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4E,15Z)-Bilirubin GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4E,15Z)-Bilirubin GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4E,15Z)-Bilirubin GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4E,15Z)-Bilirubin GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4E,15Z)-Bilirubin GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4E,15Z)-Bilirubin GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4E,15Z)-Bilirubin GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4E,15Z)-Bilirubin GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4E,15Z)-Bilirubin GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4E,15Z)-Bilirubin GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4E,15Z)-Bilirubin GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4E,15Z)-Bilirubin GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4E,15Z)-Bilirubin GC-MS (TBDMS_1_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - (4E,15Z)-Bilirubin LC-ESI-IT , negative-QTOFsplash10-000i-0090000000-50ff729317f07f6120b52018-05-25HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (4E,15Z)-Bilirubin 10V, Positive-QTOFsplash10-014i-0000090000-651b4bf16c771e7c6f662019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (4E,15Z)-Bilirubin 20V, Positive-QTOFsplash10-01dr-0110290000-4279e28059ff64b018302019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (4E,15Z)-Bilirubin 40V, Positive-QTOFsplash10-0hox-3103930000-84aed34ed98f48f2e50f2019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (4E,15Z)-Bilirubin 10V, Negative-QTOFsplash10-00lr-0000090000-3e6982456f8db869f1f92019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (4E,15Z)-Bilirubin 20V, Negative-QTOFsplash10-067r-1010190000-16aaef818cf422a2b1662019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (4E,15Z)-Bilirubin 40V, Negative-QTOFsplash10-052f-9010230000-4f5bb6a71d8961e424852019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (4E,15Z)-Bilirubin 10V, Positive-QTOFsplash10-00kr-0010090000-d21be2c11a0dfd17c6e92021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (4E,15Z)-Bilirubin 20V, Positive-QTOFsplash10-00kr-0030190000-749f82b203e182b3e46f2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (4E,15Z)-Bilirubin 40V, Positive-QTOFsplash10-0kac-0291230000-962a583eff6dd8d5cf732021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (4E,15Z)-Bilirubin 10V, Negative-QTOFsplash10-001i-0010090000-467141ca1354a02b0aef2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (4E,15Z)-Bilirubin 20V, Negative-QTOFsplash10-00s9-0030390000-ecd6322d5a093ef12c522021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (4E,15Z)-Bilirubin 40V, Negative-QTOFsplash10-000f-0090400000-57eee3679925f2fa12ee2021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Experimental 1D NMR1H NMR Spectrum (1D, 600 MHz, 100%_DMSO, experimental)2018-05-25Wishart LabView Spectrum
Experimental 2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, 100%_DMSO, experimental)2018-05-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
Biospecimen LocationsNot Available
Tissue LocationsNot Available
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 IDFDB022070
KNApSAcK IDC00029828
Chemspider ID13628097
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkBilirubin
METLIN IDNot Available
PubChem Compound21252250
PDB IDNot Available
ChEBI ID72719
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceMcDonagh, Antony F.; Lightner, David A.; Wooldridge, Timothy A. Geometric isomerization of bilirubin-IXa and its dimethyl ester. Journal of the Chemical Society, Chemical Communications (1979), (3), 110-12.
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Kunikata T, Itoh S, Ozaki T, Kondo M, Isobe K, Onishi S: Formation of propentdyopents and biliverdin, oxidized metabolites of bilirubin, in infants receiving oxygen therapy. Pediatr Int. 2000 Aug;42(4):331-6. [PubMed:10986860 ]
  2. Wang SY, Yu CP, Pan YL, Zhou XR, Xin R, Wang Y, Ma WW, Gao R, Wang C, Wu YH: Metabolomics analysis of serum from subjects after occupational exposure to acrylamide using UPLC-MS. Mol Cell Endocrinol. 2017 Mar 15;444:67-75. doi: 10.1016/j.mce.2017.02.003. Epub 2017 Feb 3. [PubMed:28163100 ]