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urobilin

MNXM8511 is deprecated and here replaced by MNXM1371531
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371531 Image of MNXM1371531
referencechebi:36378
formulaC33H42N4O6
global charge0
mol weight590.721
InChIKeyKDCCOOGTVSRCHX-UHFFFAOYSA-N
InChIInChI=1S/C33H42N4O6/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/h15,26-27,35H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)
SMILESCCC1=C(C)C(CC2=NC(=CC3=C(CCC(=O)O)C(C)=C(CC4NC(=O)C(C)=C4CC)N3)C(CCC(=O)O)=C2C)NC1=O
MNX internals
InChI (mnx)InChI=1/C33H42N4O6/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/h15,26-27,35H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b28-15?/t26?,27? Image of MNXM1371531
SMILES (mnx)[CH3:1][CH2:7][C:20]1=[C:19]([CH3:6])[C:32]([OH:42])=[N:37][CH:27]1[CH2:14][C:25]1=[C:18]([CH3:5])[C:23]([CH2:10][CH2:12][C:31](=[O:40])[OH:41])=[C:29]([CH:15]=[C:28]2[C:22]([CH2:9][CH2:11][C:30](=[O:38])[OH:39])=[C:17]([CH3:4])[C:24]([CH2:13][CH:26]3[C:16]([CH3:3])=[C:21]([CH2:8][CH3:2])[C:33]([OH:43])=[N:36]3)=[N:34]2)[NH:35]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-9661716
reactomeM:R-ALL-9661716
CHEBI:36378
chebi:36378
KDCCOOGTVSRCHX-UHFFFAOYSA-N 		urobilin
3,18-diethyl-1,4,5,15,16,19,22,24-octahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic acid
3,18-diethyl-1,4,5,15,16,19,22,24-octahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropionic acid
3,18-diethyl-2,7,13,17-tetramethyl-1,19-dioxo-1,4,5,15,16,19,22,24-octahydro-21H-biline-8,12-dipropanoic acid
8,12-bis(2-carboxyethyl)-3,18-diethyl-2,7,13,17-tetramethylbilene-b-1,19(4H,16H)-dione
I-Urobilin
hmdb:HMDB0004160
KDCCOOGTVSRCHX-UHFFFAOYSA-N 		Urobilin
(-)-Urobilin
3,18-Diethyl-1,4,5,15,16,19,22,24-octahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoate
3,18-Diethyl-1,4,5,15,16,19,22,24-octahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic acid
3,18-Diethyl-1,4,5,15,16,19,22,24-octahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropionate
3,18-Diethyl-1,4,5,15,16,19,22,24-octahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropionic acid
3,18-Diethyl-1,4,5,15,16,19,22,24-octahydro-2,7,13,17-tetramethyl-1,19-dioxo-biline-8,12-dipropionic acid
3-(2-{[3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)methyl]-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-[(3-ethyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-3-yl)propanoic acid
8,12-Bis(2-carboxyethyl)-3,18-diethyl-2,7,13,17-tetramethylbilene-b-1,19(4H,16H)-dione
I-urobilin
Urobilin ixalpha
urobilin

hmdb:HMDB0004159
hmdb:HMDB0004161
hmdb:HMDB04159
hmdb:HMDB04160
hmdb:HMDB04161
chebi:27245
chebi:5843 		secondary/obsolete/fantasy identifier