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5-Deaza-fmn

CAT: 0013-GTR19224121-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19224121-01Size:100 mg
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Description
5-Deaza-FMN is a synthetic flavin mononucleotide analog used as a biochemical tool in enzymology research. It serves as a competitive inhibitor for flavin-dependent enzymes, facilitating mechanistic studies in both in vitro assays and cellular systems to probe electron transfer processes.
CAS Number
36408-16-9
Field of Research
Musculoskeletal & Connective Tissue Research
Smiles
C ([C@@H] ([C@@H] ([C@@H] (COP (=O) (O) O) O) O) O) N1C=2C (C=C3C1=NC (=O) NC3=O) =CC (C) =C (C) C2
Molecular Formula
C18H22N3O9P
Molecular Weight
455.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-Deaza-fmn
CAS Number36408-16-9
PubChem CID99041
IUPAC Name[5-(7,8-dimethyl-2,4-dioxopyrimido[4,5-b]quinolin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate
Molecular FormulaC18H22N3O9P
Molecular Weight455.4
XLogP-2
Topological Polar Surface Area189
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity841
SMILES
CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=C2)CC(C(C(COP(=O)(O)O)O)O)O
InChI
InChI=1S/C18H22N3O9P/c1-8-3-10-5-11-16(19-18(26)20-17(11)25)21(12(10)4-9(8)2)6-13(22)15(24)14(23)7-30-31(27,28)29/h3-5,13-15,22-24H,6-7H2,1-2H3,(H,20,25,26)(H2,27,28,29)
InChIKey
LAWFKZVKVIYTAR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Deaza-fmn
CAS: 36408-16-9
CID: 99041
Formula: C18H22N3O9P
MW: 455.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight455.4
XLogP3-2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass455.10936629
Monoisotopic Mass455.10936629
Topological Polar Surface Area189 Ų
Heavy Atom Count31
Formal Charge0
Complexity841
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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