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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 | CCC1=C(C)C(=O)NC1Cc1[nH]c(Cc2[nH]c(CC3NC(=O)C(C=C)=C3C)c(C)c2CCC(O)=O)c(CCC(O)=O)c1C |
#reac | |
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Distinct reactions in my sandbox | 0 |
Distinct generic reactions in MNXref | 8 |
Distinct compatimentalized reactions in models | 2 |
Identifier | Description |
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metacycM:CPD-17978 | D-urobilinogen |
hmdb:HMDB0004158 | D-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 Urobilinogen |
chebi:4260 keggC:C05791 | D-Urobilinogen |
seedM:cpd03431 | D-Urobilinogen D-urobilinogen |
hmdb:HMDB04158 keggC:M_C05791 seedM:M_cpd03431 | secondary/obsolete/fantasy identifier |
MNXM90623 | is deprecated and replaced by this entry |