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CHEBI:43034 - 7,8-didemethyl-8-hydroxy-5-deazariboflavin

Default Structure
ChEBI IDCHEBI:43034
ChEBI Name7,8-didemethyl-8-hydroxy-5-deazariboflavin
Stars
DefinitionRiboflavin in which the nitrogen at position 5 is replaced by CH and the methyl groups at positions 7 and 8 are substituted by hydrogen and hydroxy, respectively.
Secondary ChEBI IDsCHEBI:37430, CHEBI:43031, CHEBI:49604
Last Modified22 June 2015
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC16H17N3O7
Net Charge0
Average Mass363.326
Monoisotopic Mass363.10665
SMILESO=c1nc2n(C[C@H](O)[C@H](O)[C@H](O)CO)c3cc(O)ccc3cc-2c(=O)n1
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/h1-4,11-13,20-24H,5-6H2,(H,18,25,26)/t11-,12+,13-/m0/s1
InChIKeyAUEILLWDYUBWCM-XQQFMLRXSA-N
Roles Classification
Biological Role:
prosthetic group  A tightly bound, specific nonpolypeptide unit in a protein determining and involved in its biological activity.
ChEBI Ontology
Outgoing Relation(s)
7,8-didemethyl-8-hydroxy-5-deazariboflavin (CHEBI:43034) has functional parent riboflavin (CHEBI:17015)
7,8-didemethyl-8-hydroxy-5-deazariboflavin (CHEBI:43034) has role prosthetic group (CHEBI:26348)
7,8-didemethyl-8-hydroxy-5-deazariboflavin (CHEBI:43034) is a pyrimidoquinolines (CHEBI:59535)
7,8-didemethyl-8-hydroxy-5-deazariboflavin (CHEBI:43034) is conjugate acid of 7,8-didemethyl-8-hydroxy-5-deazariboflavin(1−) (CHEBI:59904)
Incoming Relation(s)
coenzyme F390-A (CHEBI:62784) has functional parent 7,8-didemethyl-8-hydroxy-5-deazariboflavin (CHEBI:43034)
coenzyme F390-G (CHEBI:62786) has functional parent 7,8-didemethyl-8-hydroxy-5-deazariboflavin (CHEBI:43034)
coenzyme F420-1 (CHEBI:59536) has functional parent 7,8-didemethyl-8-hydroxy-5-deazariboflavin (CHEBI:43034)
coenzyme F420-1(3−) (CHEBI:59543) has functional parent 7,8-didemethyl-8-hydroxy-5-deazariboflavin (CHEBI:43034)
coenzyme F420-6 (CHEBI:63314) has functional parent 7,8-didemethyl-8-hydroxy-5-deazariboflavin (CHEBI:43034)
coenzyme α-F420-3 (CHEBI:59537) has functional parent 7,8-didemethyl-8-hydroxy-5-deazariboflavin (CHEBI:43034)
coenzyme γ-F420-2 (CHEBI:16848) has functional parent 7,8-didemethyl-8-hydroxy-5-deazariboflavin (CHEBI:43034)
coenzyme γ-F420-2(4−) (CHEBI:59541) has functional parent 7,8-didemethyl-8-hydroxy-5-deazariboflavin (CHEBI:43034)
reduced coenzyme F420-(γ-Glu)n polyanion (CHEBI:139511) has functional parent 7,8-didemethyl-8-hydroxy-5-deazariboflavin (CHEBI:43034)
7,8-didemethyl-8-hydroxy-5-deazariboflavin(1−) (CHEBI:59904) is conjugate base of 7,8-didemethyl-8-hydroxy-5-deazariboflavin (CHEBI:43034)
IUPAC Name 
1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol
Synonyms  Source
1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitolPDBeChem
8-HDFChEBI
8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL)-5-DEAZAISOALLOXAZINEPDBeChem
8-hydroxy-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)pyrimido[4,5-b]quinoline-2,4(3H,10H)-dioneIUPAC
8-hydroxy-5-deazaflavinChemIDplus
FOChEBI
Manual XrefsDatabases
C19154KEGG COMPOUND
FO1PDBeChem
HDFPDBeChem
Registry NumbersSources
Beilstein:4580764Beilstein
CAS:37333-48-5ChemIDplus
CAS:37333-48-5KEGG COMPOUND
Citations