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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 7,8-didemethyl-8-hydroxy-5-deazariboflavin(1−)
ChEBI ID CHEBI:59904
ChEBI ASCII Name 7,8-didemethyl-8-hydroxy-5-deazariboflavin(1-)
Definition Conjugate 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C16H16N3O7
Net Charge -1
Average Mass 362.31410
Monoisotopic Mass 362.09937
InChI InChI=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
InChIKey YUTUUCYDXGWRNU-XQQFMLRXSA-M
SMILES OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2cc(O)ccc2cc2c1nc(=O)[n-]c2=O
ChEBI Ontology
Outgoing 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 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 Sources
7,8-didemethyl-8-hydroxy-5-deazariboflavin UniProt
7,8-didemethyl-8-hydroxy-5-deazariboflavin anion ChEBI
7,8-didemethyl-8-hydroxy-5-deazariboflavin-3-ide ChEBI
Last Modified
13 August 2010