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Bilirubin

CAT: 0024-sc-202499ASize: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-202499ASize:100 mg
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CAS Number
635-65-4

Chemical Information

Bilirubin

Bilirubin IXalpha is a member of the class of biladienes that is a linear tetrapyrrole with the dipyrrole units being of both exovinyl and endovinyl type. A product of heme degradation, it is produced in the reticuloendothelial system by the reduction of biliverdin and transported to the liver as a complex with serum albumin. It has a role as an antioxidant, a mouse metabolite and a human metabolite. It is a dicarboxylic acid and a member of biladienes. It contains a 24G7 epitope. It is a conjugate acid of a bilirubin(2-).

CAS Number635-65-4
PubChem CID5280352
IUPAC Name3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
Molecular FormulaC33H36N4O6
Molecular Weight584.7
XLogP2.9
Topological Polar Surface Area164
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Heavy Atom Count43
Formal Charge0
Complexity1340
SMILES
CC1=C(NC(=C1CCC(=O)O)CC2=C(C(=C(N2)/C=C\3/C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)/C=C\4/C(=C(C(=O)N4)C=C)C
InChI
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-
InChIKey
BPYKTIZUTYGOLE-IFADSCNNSA-N
Chemical Structure
2D Structure
2D structure of Bilirubin
CAS: 635-65-4
CID: 5280352
Formula: C33H36N4O6
MW: 584.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight584.7
XLogP32.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass584.26348488
Monoisotopic Mass584.26348488
Topological Polar Surface Area164 Ų
Heavy Atom Count43
Formal Charge0
Complexity1340
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
SM4024-5mgBilirubin
B8510-01Bilirubin Oxidase/ Bilirubin:oxygen Oxidoreductase
HY-N11424Bilirubin diglucuronide

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