Flavin Mononucleotide
[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate
Molecular Identity
Flavin Mononucleotide
[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate
PubChem CID: 643976
FMN is a flavin mononucleotide that is riboflavin (vitamin B2) in which the primary hydroxy group has been converted to its dihydrogen phosphate ester. It has a role as a coenzyme, a cofactor, a mouse metabolite, a bacterial metabolite and a human metabolite. It is a vitamin B2 and a flavin mononucleotide. It is a conjugate acid of a FMN(3-).
2D Structure
Properties
C17H21N4O9P
Molecular Formula
456.30
Molecular Weight
g/mol
456.1046
Exact Mass
Da
-2.6
XLogP
Drug-like (Lipinski: < 5)
202
TPSA
May have limited oral absorption
6
H-Bond Donors
10
H-Bond Acceptors
843
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)OIsomeric SMILES
SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)OSynonyms(20)
flavin mononucleotide146-17-8Vitamin B2 phosphateRiboflavin 5'-phosphateRiboflavin 5'-monophosphateRiboflavin 5'-(dihydrogen phosphate)Riboflavine dihydrogen phosphateFMNE101a7N464URE7ECHEBI:17621[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphateCHEMBL1201794{[(2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl]oxy}phosphonic acid(((2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo(g)pteridin-10-yl)-2,3,4-trihydroxypentyl)oxy)phosphonic acid
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Flavin Mononucleotide
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