1,5-Dihydroriboflavin 5'-(dihydrogen phosphate)
Basic information
- CAS
5666-16-0- Standard SMILES
Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2- InChIKey
YTNIXZGTHTVJBW-SCRDCRAPSA-N- Molecular formula
- C17H23N4O9P
- Average molar mass
- 458.4 g/mol
- Monoisotopic mass
- 458.12026532
Overview
FMNH2 is the reduced 1,5-dihydro form of flavin mononucleotide. It has a role as a cofactor and an Escherichia coli metabolite. It is a conjugate acid of a FMNH2(3-) and a FMNH2(2-).
Names & identifiers
- Preferred name
- 1,5-Dihydroriboflavin 5'-(dihydrogen phosphate)
- IUPAC
- [(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-1,5-dihydrobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate
Names & synonyms
FMNH25666-16-01,5-Dihydroriboflavin 5'-(dihydrogen phosphate)CHEBI:16048{[(2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-1H,2H,3H,4H,5H,10H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl]oxy}phosphonic acid(((2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-1H,2H,3H,4H,5H,10H-benzo(g)pteridin-10-yl)-2,3,4-trihydroxypentyl)oxy)phosphonic acidRefChem:1053438fmnhriboflavin-5'-phosphateReduced FMN[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-1,5-dihydrobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphatereduced flavin mononucleotide
Show more names
(2R,3S,4S)-5-(7,8-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-10(5H)-yl)-2,3,4-trihydroxypentyl dihydrogen phosphateFMNH(.)1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL1-deoxy-1-(7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitolVitamin B2-phosphate1aku1akv1czo
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 201 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 802
Experimental & physicochemical properties
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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