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CHEBI:59904 - 7,8-didemethyl-8-hydroxy-5-deazariboflavin(1−)

Default Structure
ChEBI IDCHEBI:59904
ChEBI Name7,8-didemethyl-8-hydroxy-5-deazariboflavin(1−)
Stars
ASCII Name7,8-didemethyl-8-hydroxy-5-deazariboflavin(1-)
DefinitionConjugate base of 7,8-didemethyl-8-hydroxy-5-deazariboflavin arising from deprotonation at the 3-position of the pyrimidoquinoline ring system; major species at pH 7.3.
Last Modified13 August 2010
SubmitterAnne Morgat
DownloadsMolfile
FormulaC16H16N3O7
Net Charge-1
Average Mass362.318
Monoisotopic Mass362.09937
SMILESO=c1nc2n(C[C@H](O)[C@H](O)[C@H](O)CO)c3cc(O)ccc3cc-2c(=O)[n-]1
InChIInChI=1S/C16H17N3O7/c20-6-12(23)13(24)11(22)5-19-10-4-8(21)2-1-7(10)3-9-14(19)17-16(26)18-15(9)25/h1-4,11-13,20,22-24H,5-6H2,(H2,17,18,21,25,26)/p-1/t11-,12+,13-/m0/s1
InChIKeyYUTUUCYDXGWRNU-XQQFMLRXSA-M
ChEBI Ontology
Outgoing Relation(s)
7,8-didemethyl-8-hydroxy-5-deazariboflavin(1−) (CHEBI:59904) is a organic anion (CHEBI:25696)
7,8-didemethyl-8-hydroxy-5-deazariboflavin(1−) (CHEBI:59904) is conjugate base of 7,8-didemethyl-8-hydroxy-5-deazariboflavin (CHEBI:43034)
Incoming Relation(s)
oxidised coenzyme F420-(γ-Glu)n polyanion (CHEBI:133980) has functional parent 7,8-didemethyl-8-hydroxy-5-deazariboflavin(1−) (CHEBI:59904)
7,8-didemethyl-8-hydroxy-5-deazariboflavin (CHEBI:43034) is conjugate acid of 7,8-didemethyl-8-hydroxy-5-deazariboflavin(1−) (CHEBI:59904)
IUPAC Name 
1-deoxy-1-(8-hydroxy-2,4-dioxo-2H-pyrimido[4,5-b]quinolin-3-id-10(4H)-yl)-D-ribitol
Synonyms  Source
7,8-didemethyl-8-hydroxy-5-deazariboflavin-3-ideChEBI
7,8-didemethyl-8-hydroxy-5-deazariboflavin anionChEBI
UniProt Name  Source
7,8-didemethyl-8-hydroxy-5-deazariboflavinUniProt