Hmdb loader
Show more...Show more...Show more...
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-10-30 10:32:48 UTC
Update Date2022-03-07 03:17:34 UTC
HMDB IDHMDB0059614
Secondary Accession Numbers
  • HMDB59614
Metabolite Identification
Common NameRiboflavin cyclic-4',5'-phosphate
DescriptionRiboflavin cyclic-4',5'-phosphate, also known as CFMN or cyclic flavin mononucleotide, belongs to the class of organic compounds known as flavins. Flavins are compounds containing a flavin (7,8-dimethyl-benzo[g]pteridine-2,4-dione) moiety, with a structure characterized by an isoalloaxzine tricyclic ring. Riboflavin cyclic-4',5'-phosphate has been detected, but not quantified in, several different foods, such as boysenberries (Rubus ursinus X idaeus), grapefruits (Citrus X paradisi), sweet basils (Ocimum basilicum), sesbania flowers (Sesbania bispinosa), and arctic blackberries (Rubus arcticus). This could make riboflavin cyclic-4',5'-phosphate a potential biomarker for the consumption of these foods. Riboflavin cyclic-4',5'-phosphate is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a significant number of articles have been published on Riboflavin cyclic-4',5'-phosphate.
Structure
Thumb
Synonyms
ValueSource
CFMNChEBI
Cyclic flavin mononucleotideChEBI
Cyclic FMNChEBI
Riboflavin cyclic-4',5'-phosphoric acidGenerator
Riboflavin cyclic 4',5'-phosphoric acidHMDB
Chemical FormulaC17H19N4O8P
Average Molecular Weight438.3285
Monoisotopic Molecular Weight438.094050116
IUPAC Name10-[(2S,3S)-2,3-dihydroxy-3-[(4R)-2-hydroxy-2-oxo-1,3,2λ⁵-dioxaphospholan-4-yl]propyl]-4-hydroxy-7,8-dimethyl-2H,10H-benzo[g]pteridin-2-one
Traditional Name10-[(2S,3S)-2,3-dihydroxy-3-[(4R)-2-hydroxy-2-oxo-1,3,2λ⁵-dioxaphospholan-4-yl]propyl]-4-hydroxy-7,8-dimethylbenzo[g]pteridin-2-one
CAS Registry NumberNot Available
SMILES
[H][C@](O)(CN1C2=C(C=C(C)C(C)=C2)N=C2C(O)=NC(=O)N=C12)[C@]([H])(O)[C@@]1([H])COP(O)(=O)O1
InChI Identifier
InChI=1S/C17H19N4O8P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(24)20-17(25)19-15)5-11(22)14(23)12-6-28-30(26,27)29-12/h3-4,11-12,14,22-23H,5-6H2,1-2H3,(H,26,27)(H,20,24,25)/t11-,12+,14-/m0/s1
InChI KeyCVZKYDYRJQYYDJ-SCRDCRAPSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as flavins. Flavins are compounds containing a flavin (7,8-dimethyl-benzo[g]pteridine-2,4-dione) moiety, with a structure characterized by an isoalloaxzine tricyclic ring.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPteridines and derivatives
Sub ClassAlloxazines and isoalloxazines
Direct ParentFlavins
Alternative Parents
Substituents
  • Flavin
  • Diazanaphthalene
  • Quinoxaline
  • Pyrimidone
  • Organic phosphoric acid derivative
  • Pyrazine
  • Pyrimidine
  • Benzenoid
  • Vinylogous amide
  • 1,3_dioxaphospholane
  • Heteroaromatic compound
  • Secondary alcohol
  • Lactam
  • 1,2-diol
  • Azacycle
  • Oxacycle
  • Organic oxide
  • Organooxygen compound
  • Organonitrogen compound
  • Alcohol
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB031146
KNApSAcK IDNot Available
Chemspider ID9201698
KEGG Compound IDC16071
BioCyc IDCPD-12658
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound11026517
PDB IDNot Available
ChEBI ID15045
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available