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(4Z,15Z)-bilirubin IXalpha

PropertiesImage
MNX_IDMNXM1371811 Image of MNXM1371811
referencechebi:57977
formulaC33H34N4O6
global charge-2
mol weight582.657
InChIKeyBPYKTIZUTYGOLE-IFADSCNNSA-L
InChIInChI=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-
SMILESC=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)N2)NC1=O
MNX internals
InChI (mnx)InChI=1/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- Image of MNXM1371811
SMILES (mnx)[CH2:1]=[CH:7][C:20]1=[C:19]([CH3:6])[C:32]([OH:42])=[N:37]/[C:27]1=[CH:14]\[C:25]1=[C:18]([CH3:5])[C:23]([CH2:10][CH2:12][C:31](=[O:40])[OH:41])=[C:29]([CH2:15][C:28]2=[C:22]([CH2:9][CH2:11][C:30](=[O:38])[OH:39])[C:17]([CH3:4])=[C:24](/[CH:13]=[C:26]3/[C:16]([CH3:3])=[C:21]([CH:8]=[CH2:2])[C:33]([OH:43])=[N:36]3)[NH:34]2)[NH:35]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)26
in models (compartimentalized) 21
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-159151
reactomeM:R-ALL-159151
reactome:R-ALL-189386
reactomeM:R-ALL-189386
reactome:R-ALL-9661418
reactomeM:R-ALL-9661418
reactome:R-ALL-9709898
reactomeM:R-ALL-9709898
CHEBI:57977
chebi:57977
BPYKTIZUTYGOLE-IFADSCNNSA-L 		(4Z,15Z)-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
BPYKTIZUTYGOLE-IFADSCNNSA-L 		(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
BPYKTIZUTYGOLE-IFADSCNNSA-N 		Bilirubin

bigg.metabolite:bilirub
biggM:bilirub
BPYKTIZUTYGOLE-IFADSCNNSA-L 		Bilirubin cytosol
hmdb:HMDB0000054
BPYKTIZUTYGOLE-IFADSCNNSA-N 		Bilirubin
(4Z,15Z)-Bilirubin ixa
(Z,Z)-Bilirubin ixa
1,10,19,22,23,24-Hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinyl-biline-8,12-dipropionate
1,10,19,22,23,24-Hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinyl-biline-8,12-dipropionic acid
1,10,19,22,23,24-Hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinylbiline-8,12-dipropionate
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-dipropanoate
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-dipropanoate
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-(2-((3-(2-Carboxyethyl)-4-methyl-5-((3-methyl-5-oxo-4-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl)-1H-pyrrol-2-yl)methyl)-4-methyl-5-((4-methyl-5-oxo-3-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl)-1H-pyrrol-3-yl)propanoate
3-(2-((3-(2-Carboxyethyl)-4-methyl-5-((3-methyl-5-oxo-4-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl)-1H-pyrrol-2-yl)methyl)-4-methyl-5-((4-methyl-5-oxo-3-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl)-1H-pyrrol-3-yl)propanoic acid
3-(2-((3-(2-Carboxyethyl)-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl)methyl)-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene
3-(2-{[3-(2-carboxyethyl)-5-{[(2Z)-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
3-[2-[[3-(2-Carboxyethyl)-5-[(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(4-ethenyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoate
3-[2-[[3-(2-Carboxyethyl)-5-[(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(4-ethenyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
3-[2-[[3-(2-Carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoate
3-[2-[[3-(2-Carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
8,12-Bis(2-carboxyethyl)-2,7,13,17-tetramethyl-3,18-divinylbiladiene-ac-1,19(21H,24H)-dione
Bilirubin IX alpha
Bilirubin IX-alpha
Bilirubin ixalpha
Bilirubin(Z,Z)
Bilirubin-ixalpha
Cholerythrin
Hematoidin
bilirubin

seed.compound:cpd00376
seedM:cpd00376
BPYKTIZUTYGOLE-IFADSCNNSA-L 		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

CHEBI:16990
chebi:16990
BPYKTIZUTYGOLE-IFADSCNNSA-N 		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

vmhM:bilirub
vmhmetabolite:bilirub
BPYKTIZUTYGOLE-IFADSCNNSA-L 		bilirubin(2-)
3-(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-p

hmdb:HMDB00054
chebi:13898
chebi:22870
chebi:3099
biggM:M_bilirub
keggC:M_C00486
seedM:M_cpd00376
vmhM:M_bilirub 		secondary/obsolete/fantasy identifier