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D-Urobilinogen

Properties

Image

Occurences in reactions

MNX_ID

MNXM3249

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	2

formula

C₃₃H₄₂N₄O₆

charge

mass

590.31044

reference

chebi:4260

InChIKey

KSQFFJKKJAEKTB-UHFFFAOYSA-N

InChI

InChI=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/h8,26-27,34-35H,2,7,9-15H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)

SMILES

C=CC1=C(C)C(Cc2[nH]c(Cc3[nH]c(CC4NC(=O)C(C)=C4CC)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:4260 chebi:4260 kegg.compound:C05791 keggC:C05791	D-Urobilinogen
seed.compound:cpd03431 seedM:cpd03431	D-Urobilinogen D-urobilinogen
metacyc.compound:CPD-17978 metacycM:CPD-17978	D-urobilinogen
hmdb:HMDB0004158	Urobilinogen 3-(2-{[3-(2-carboxyethyl)-5-[(4-ethenyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methyl}-5-[(3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-3-yl)propanoic acid 3-(2-{[3-(2-carboxyethyl)-5-[(4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methyl}-5-[(3-ethyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-3-yl)propanoic acid D-Urobilinogen
hmdb:HMDB04158 keggC:M_C05791 seedM:M_cpd03431	secondary/obsolete/fantasy identifier