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CHEBI:137340 - 8-demethyl-8-(methylamino)riboflavin

ChEBI IDCHEBI:137340
ChEBI Name8-demethyl-8-(methylamino)riboflavin
Stars
DefinitionA benzopteridine that is riboflavin in which the methyl group at position 8 has been replaced by a methylamino group.
Last Modified6 June 2017
SubmitterSteve
DownloadsMolfile
FormulaC17H21N5O6
Net Charge0
Average Mass391.384
Monoisotopic Mass391.14918
SMILESCNc1cc2c(cc1C)nc1c(=O)nc(=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/h3-4,11-12,14,18,23-26H,5-6H2,1-2H3,(H,21,27,28)/t11-,12+,14-/m0/s1
InChIKeyPWZSYWZSTDXLFL-SCRDCRAPSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
8-demethyl-8-(methylamino)riboflavin (CHEBI:137340) has functional parent riboflavin (CHEBI:17015)
8-demethyl-8-(methylamino)riboflavin (CHEBI:137340) is a aromatic amine (CHEBI:33860)
8-demethyl-8-(methylamino)riboflavin (CHEBI:137340) is a benzopteridine (CHEBI:38925)
8-demethyl-8-(methylamino)riboflavin (CHEBI:137340) is a secondary amino compound (CHEBI:50995)
8-demethyl-8-(methylamino)riboflavin (CHEBI:137340) is a tetrol (CHEBI:33573)
8-demethyl-8-(methylamino)riboflavin (CHEBI:137340) is conjugate acid of 8-demethyl-8-(methylamino)riboflavin(1−) (CHEBI:136520)
Incoming Relation(s)
8-demethyl-8-(methylamino)riboflavin(1−) (CHEBI:136520) is conjugate base of 8-demethyl-8-(methylamino)riboflavin (CHEBI:137340)
IUPAC Name 
1-deoxy-1-[7-methyl-8-(methylamino)-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl]-D-ribitol
Synonyms  Source
8-demethyl-8-methylaminoriboflavinChEBI
8-Methylamino-riboflavinChemIDplus
8-MethylaminoriboflavinChemIDplus
Manual XrefsDatabases
CPD-19834MetaCyc
Registry NumbersSources
Reaxys:1231598Reaxys
CAS:62746-55-8ChemIDplus
Citations