CHEBI:137336 - 8-amino-8-demethylriboflavin

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ChEBI Name 8-amino-8-demethylriboflavin
ChEBI ID CHEBI:137336
Definition A benzopteridine that is riboflavin in which the methyl group at position 8 has been replaced by an amino group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C16H19N5O6
Net Charge 0
Average Mass 377.353
Monoisotopic Mass 377.13353
InChI InChI=1S/C16H19N5O6/c1-6-2-8-9(3-7(6)17)21(4-10(23)13(25)11(24)5-22)14-12(18-8)15(26)20-16(27)19-14/h2-3,10-11,13,22-25H,4-5,17H2,1H3,(H,20,26,27)/t10-,11+,13-/m0/s1
InChIKey BZHBNLOEUZEUOA-LOWVWBTDSA-N
SMILES C(N1C=2C(=NC3=C1C=C(C(=C3)C)N)C(NC(N2)=O)=O)[C@H](O)[C@H](O)[C@H](O)CO
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 8-amino-8-demethylriboflavin (CHEBI:137336) has functional parent riboflavin (CHEBI:17015)
8-amino-8-demethylriboflavin (CHEBI:137336) is a aromatic amine (CHEBI:33860)
8-amino-8-demethylriboflavin (CHEBI:137336) is a benzopteridine (CHEBI:38925)
8-amino-8-demethylriboflavin (CHEBI:137336) is a primary amino compound (CHEBI:50994)
8-amino-8-demethylriboflavin (CHEBI:137336) is a tetrol (CHEBI:33573)
8-amino-8-demethylriboflavin (CHEBI:137336) is conjugate acid of 8-amino-8-demethylriboflavin(1−) (CHEBI:136518)
Incoming 8-amino-8-demethylriboflavin 5'-phosphate (CHEBI:140135) has functional parent 8-amino-8-demethylriboflavin (CHEBI:137336)
8-amino-8-demethylriboflavin(1−) (CHEBI:136518) is conjugate base of 8-amino-8-demethylriboflavin (CHEBI:137336)
IUPAC Name
1-(8-amino-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-1-deoxy-D-ribitol
Synonym Source
8-Amino-8-demethyl-D-riboflavin ChemIDplus
Manual Xref Database
CPD-19835 MetaCyc
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Registry Numbers Types Sources
5178-05-2 CAS Registry Number ChemIDplus
587780 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
101644 PubMed citation Europe PMC
21911488 PubMed citation Europe PMC
26913589 PubMed citation Europe PMC
7358636 PubMed citation Europe PMC
Last Modified
13 February 2018