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stercobilinogen

MNXM30359 is deprecated and here replaced by MNXM1369012
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1369012 Image of MNXM1369012
referencechebi:36479
formulaC33H48N4O6
global charge0
mol weight596.769
InChIKeyVKGRRZVYCXLHII-UHFFFAOYSA-N
InChIInChI=1S/C33H48N4O6/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/h16,19-21,26-27,34-35H,7-15H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)
SMILESCCC1C(=O)NC(CC2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(CC4NC(=O)C(C)C4CC)N3)N2)C1C
MNX internals
InChI (mnx)InChI=1/C33H48N4O6/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/h16,19-21,26-27,34-35H,7-15H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/t16?,19?,20?,21?,26?,27? Image of MNXM1369012
SMILES (mnx)[CH3:1][CH2:7][CH:20]1[CH: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]([CH2:15][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[CH:16]([CH3:3])[CH:21]([CH2:8][CH3:2])[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)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:36479
chebi:36479
VKGRRZVYCXLHII-UHFFFAOYSA-N 		stercobilinogen
10,23-dihydrostercobilin
2,17-diethyl-3,7,13,18-tetramethyl-1,19-dioxo-1,2,3,4,5,10,15,16,17,18,19,22,23,24-tetradecahydro-21H-biline-8,12-dipropanoic acid
L-Stercobilinogen
Stercobilinogen
stercobilinogen IXalpha

seed.compound:cpd03429
seedM:cpd03429
kegg.compound:C05789
keggC:C05789
VKGRRZVYCXLHII-UHFFFAOYSA-L
VKGRRZVYCXLHII-UHFFFAOYSA-N 		L-Urobilinogen
L-Stercobilinogen
Stercobilinogen

keggC:M_C05789
seedM:M_cpd03429 		secondary/obsolete/fantasy identifier