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bilirubin IXalpha

Properties

Image

Occurences in reactions

MNX_ID

MNXM737082

	#reac
in my sandbox	0
in MNXref (generic)	18
in models (compartimentalized)	22

formula

C₃₃H₃₄N₄O₆

charge

-2

mass

582.24893

reference

chebi:57977

InChIKey

BPYKTIZUTYGOLE-IFADSCNNSA-L

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)/p-2/b26-13-,27-14-

SMILES

C=CC1=C(C)/C(=C/c2[nH]c(Cc3[nH]c(/C=C4\NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)[O-])c(CCC(=O)[O-])c2C)NC1=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57977 chebi:57977	bilirubin IXalpha 2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinyl-1,10,19,22,23,24-hexahydro-21H-biline-8,12-dipropanoate bilirubin dianion bilirubin(2-)
metacyc.compound:BILIRUBIN metacycM:BILIRUBIN	(Z,Z)-bilirubin-IX alpha (Z,Z)-alpha-bilirubin 1,10,19,22,23,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinylbiline-8,12-dipropionate
sabiork.compound:5116 sabiorkM:5116 kegg.compound:C00486 keggC:C00486	Bilirubin
bigg.metabolite:bilirub biggM:bilirub	Bilirubin cytosol
seed.compound:cpd00376 seedM:cpd00376	Bilirubin (Z,Z)-alpha-bilirubin (Z,Z)-bilirubin-IX alpha 1,10,19,22,23,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinylbiline-8,12-dipropionate bilirubin
reactome:R-ALL-159151 reactomeM:R-ALL-159151 reactome:R-ALL-189386 reactomeM:R-ALL-189386 CHEBI:16990 chebi:16990	bilirubin IXalpha 1,10,19,22,23,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinylbiline-8,12-dipropionic acid 2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic acid 2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinyl-1,10,19,22,23,24-hexahydro-21H-biline-8,12-dipropanoic acid 3,18-diethenyl-2,7,13,17-tetramethyl-1,19-dioxo-1,10,19,22,23,24-hexahydro-21H-biline-8,12-dipropanoic acid 8,12-bis(2-carboxyethyl)-2,7,13,17-tetramethyl-3,18-divinylbiladiene-ac-1,19(21H,24H)-dione Bilirubin bilirubin bilirubin(Z,Z) bilirubin-IXalpha
chebi:13898 chebi:22870 chebi:3099 biggM:M_bilirub keggC:M_C00486 seedM:M_cpd00376	secondary/obsolete/fantasy identifier