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[1. A compound differing from bilirubin only in that the vinyl groups of bilirubin are reduced to ethyl groups.
pre_formula_key( "InChIKey=HVHKMUMXERBUAN-PNMSQERCDU", "jqp028/5941884.html" ); ?>
pre_formula( "InChI=1/C33H40N4O6/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/h13-14,34-35H,7-12,15H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-/f/h36-38,40H", "jqp028/5941884.html" ); ?>
Molecular Formula:
C33H40N4O6
InChI: InChI=1/C33H40N4O6/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/h13-14,34-35H,7-12,15H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-/f/h36-38,40H
InChIKey: InChIKey=HVHKMUMXERBUAN-PNMSQERCDU
SMILES: CCC1=C(C)\C(NC1=O)=C\c2[nH]c(Cc3[nH]c(\C=C4/NC(=O)C(C)=C4CC)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C
CAS number 16568-56-2
Names:
Mesobilirubin IX alpha
Mesobilirubin
mesobilirubin
mesobilirubin IXα
mesobilirubin
16568-56-2
3-(2-(3-(2-Carboxy-ethyl)-5-(4-ethyl-3-methyl-5-oxo-1,5-dihydro-pyrrol-2-ylidenemethyl)-4-methyl-1H-pyrrol-2-ylmethyl)-5-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-pyrrol-2-ylidenemethyl)-4-methyl-1H-pyrrol-3-yl)-propionic acid
3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(4-ethyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(3-ethyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
name_it( "InChI=1/C33H40N4O6/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/h13-14,34-35H,7-12,15H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-/f/h36-38,40H", "jqp028/5941884.html" ); ?>
Registries:
pre_registry_key( "InChI=1/C33H40N4O6/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/h13-14,34-35H,7-12,15H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-/f/h36-38,40H", "InChIKey=HVHKMUMXERBUAN-PNMSQERCDU", "jqp028/5941884.html" ); ?>
PubChem CID 5941884
Beilstein =75112
CAS 16568-56-2 (from NIST)
ChEBI 25208
PubChem ID 10551925
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