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CHEBI:140157 - 8-carboxy-8-demethylriboflavin 5'-phosphate

ChEBI IDCHEBI:140157
ChEBI Name8-carboxy-8-demethylriboflavin 5'-phosphate
Stars
DefinitionA flavin mononucleotide that is FMN in which the 8-methyl group has been oxidised to the corresponding carboxylic acid.
Last Modified14 February 2018
SubmitterSteve
DownloadsMolfile
FormulaC17H19N4O11P
Net Charge0
Average Mass486.330
Monoisotopic Mass486.07879
SMILESCc1cc2nc3c(=O)nc(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C(=O)O
InChIInChI=1S/C17H19N4O11P/c1-6-2-8-9(3-7(6)16(26)27)21(14-12(18-8)15(25)20-17(28)19-14)4-10(22)13(24)11(23)5-32-33(29,30)31/h2-3,10-11,13,22-24H,4-5H2,1H3,(H,26,27)(H,20,25,28)(H2,29,30,31)/t10-,11+,13-/m0/s1
InChIKeyIJHPVGHUQIMRPT-LOWVWBTDSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
cofactor  An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
ChEBI Ontology
Outgoing Relation(s)
8-carboxy-8-demethylriboflavin 5'-phosphate (CHEBI:140157) has functional parent FMN (CHEBI:17621)
8-carboxy-8-demethylriboflavin 5'-phosphate (CHEBI:140157) is a aromatic carboxylic acid (CHEBI:33859)
8-carboxy-8-demethylriboflavin 5'-phosphate (CHEBI:140157) is a flavin mononucleotide (CHEBI:24041)
8-carboxy-8-demethylriboflavin 5'-phosphate (CHEBI:140157) is a ribitol phosphate (CHEBI:26554)
8-carboxy-8-demethylriboflavin 5'-phosphate (CHEBI:140157) is conjugate acid of 8-carboxy-8-demethylriboflavin 5'-phosphate(4−) (CHEBI:139571)
Incoming Relation(s)
8-carboxy-8-demethylriboflavin 5'-phosphate(4−) (CHEBI:139571) is conjugate base of 8-carboxy-8-demethylriboflavin 5'-phosphate (CHEBI:140157)
IUPAC Name 
1-(8-carboxy-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-1-deoxy-5-O-phosphono-D-ribitol
Manual XrefsDatabases
CPD-19837MetaCyc