Flavin mononucleotide

Details

• Internal ID: 0e21697a-5ce8-496b-8a06-78ee7367fb6f
• Taxonomy: Nucleosides, nucleotides, and analogues > Flavin nucleotides
• IUPAC Name: [(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate
• SMILES (Canonical): CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O
• SMILES (Isomeric): 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)O
• InChI: InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
• InChI Key: FVTCRASFADXXNN-SCRDCRAPSA-N
• Popularity: 4,112 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₂₁N₄O₉P
• Molecular Weight: 456.30 g/mol
• Exact Mass: 456.10461526 g/mol
• Topological Polar Surface Area (TPSA): 202.00 Ų
• XlogP: -2.60

Synonyms

• Riboflavin 5'-phosphate
• Vitamin B2 phosphate
• Riboflavine phosphate
• Riboflavin 5'-monophosphate
• 146-17-8
• RIBOFLAVIN PHOSPHATE
• Riboflavin monophosphate
• Riboflavin 5'-(dihydrogen phosphate)
• Flanin
• Flavol
• Flavine mononucleotide
• Riboflavin mononucleotide
• Riboflavine 5'-phosphate
• Riboflavine dihydrogen phosphate
• FMN
• Riboflavine monophosphate
• Riboflavine 5'-monophosphate
• Riboflavin-5-phosphate
• E101a
• 7N464URE7E
• CHEBI:17621
• Vitamin B2 (riboflavin-5-phosphate)
• [(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate
• 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol
• {[(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
• BRN 0068086
• (2R,3S,4S)-5-(7,8-Dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen phosphate
• Riboflavine-5'-phosphate
• UNII-7N464URE7E
• 1akq
• 1akr
• 1akt
• 1akw
• 1azl
• 1czk
• 1czl
• 1czr
• 1flm
• 1nox
• Flavinmononucleotid
• Riboflavin, 5'-(dihydrogenphosphate)-
• EINECS 205-664-7
• 1c7f
• Alloxazine mononucleotide
• Riboflavin-5'-phosphate na
• SCHEMBL41133
• riboflavin-5-phosphate-sodium
• 4-26-00-02554 (Beilstein Handbook Reference)
• Riboflavin 5''''-Phosphate
• GTPL5185
• CHEMBL1201794
• DTXSID8023559
• Riboflavine 5-phosphate (6CI)
• SCHEMBL21544837
• HY-B0964A
• RIBOFLAVIN 5''-PHOSPHATE
• FVTCRASFADXXNN-SCRDCRAPSA-N
• FLAVIN MONONUCLEOTIDE [MI]
• Riboflavin5'-(dihydrogenphosphate)
• RIBOFLAVIN PHOSPHATE [VANDF]
• BDBM50421345
• RIBOFLAVIN PHOSPHATE [WHO-DD]
• AKOS027326698
• DB03247
• CS-0013780
• C00061
• EN300-6477229
• Riboflavine phosphate (Riboflavine 5'-phosphate)
• Q376061
• Riboflavin 5'-(dihydrogen phosphate) (8CI,9CI)
• Benzo[g]pteridine, riboflavin 5'-(dihydrogen phosphate) deriv.
• D-ribitol, 1-deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10(2H)-yl)-, 5-(dihydrogen phosphate)

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	98.39%	85.14%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.64%	96.09%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	93.16%	93.10%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	93.15%	91.71%
CHEMBL4040	P28482	MAP kinase ERK2	93.00%	83.82%
CHEMBL2581	P07339	Cathepsin D	92.88%	98.95%
CHEMBL215	P09917	Arachidonate 5-lipoxygenase	91.65%	92.68%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	89.68%	93.40%
CHEMBL3401	O75469	Pregnane X receptor	88.15%	94.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.11%	95.56%
CHEMBL255	P29275	Adenosine A2b receptor	87.67%	98.59%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	87.67%	99.23%
CHEMBL1937	Q92769	Histone deacetylase 2	85.81%	94.75%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	85.73%	94.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.57%	86.33%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	85.36%	97.29%
CHEMBL3230	O95977	Sphingosine 1-phosphate receptor Edg-6	84.18%	94.01%
CHEMBL3192	Q9BY41	Histone deacetylase 8	83.61%	93.99%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.13%	99.17%
CHEMBL2424504	P29375	Lysine-specific demethylase 5A	82.38%	99.23%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	82.23%	90.71%
CHEMBL2378	P30307	Dual specificity phosphatase Cdc25C	82.10%	96.67%
CHEMBL230	P35354	Cyclooxygenase-2	81.96%	89.63%
CHEMBL5103	Q969S8	Histone deacetylase 10	80.39%	90.08%
CHEMBL2335	P42785	Lysosomal Pro-X carboxypeptidase	80.29%	100.00%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	80.22%	93.65%

Plants that contains it

• Arabidopsis thaliana

Cross-Links

• PubChem: 643976
• LOTUS: LTS0066155
• wikiData: Q376061