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CHEBI:136520 - 8-demethyl-8-(methylamino)riboflavin(1−)

ChEBI IDCHEBI:136520
ChEBI Name8-demethyl-8-(methylamino)riboflavin(1−)
Stars
ASCII Name8-demethyl-8-(methylamino)riboflavin(1-)
DefinitionAn organic anion that is the conjugate base of 8-demethyl-8-(methylamino)riboflavin, obtained by removal of the imide proton at position 3. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified6 June 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC17H20N5O6
Net Charge-1
Average Mass390.376
Monoisotopic Mass390.14191
SMILESCNc1cc2c(cc1C)nc1c(=O)[n-]c(=O)nc-1n2C[C@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C17H21N5O6/c1-7-3-9-10(4-8(7)18-2)22(5-11(24)14(26)12(25)6-23)15-13(19-9)16(27)21-17(28)20-15/h3-4,11-12,14,23-26H,5-6H2,1-2H3,(H2,18,20,21,27,28)/p-1/t11-,12+,14-/m0/s1
InChIKeyMLEQSFGNEBXTPY-SCRDCRAPSA-M
ChEBI Ontology
Outgoing Relation(s)
8-demethyl-8-(methylamino)riboflavin(1−) (CHEBI:136520) is a organic anion (CHEBI:25696)
8-demethyl-8-(methylamino)riboflavin(1−) (CHEBI:136520) is conjugate base of 8-demethyl-8-(methylamino)riboflavin (CHEBI:137340)
Incoming Relation(s)
8-demethyl-8-(methylamino)riboflavin (CHEBI:137340) is conjugate acid of 8-demethyl-8-(methylamino)riboflavin(1−) (CHEBI:136520)
IUPAC Name 
1-deoxy-1-[7-methyl-8-(methylamino)-2,4-dioxo-2H-benzo[g]pteridin-3-id-10(4H)-yl]-D-ribitol
Synonym  Source
8-demethyl-8-methylaminoriboflavin(1−)ChEBI
UniProt Name  Source
8-demethyl-8-(methylamino)riboflavinUniProt
Manual XrefsDatabases
CPD-19834MetaCyc
Citations