FNR

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-RIBITOL

Created: 2006-02-10
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count54
Chiral Atom Count3
Bond Count56
Aromatic Bond Count6
2D diagram of FNR
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Chemical Component Summary

Name1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL
SynonymsTWO ELECTRON REDUCED FLAVIN MONONUCLEOTIDE
Systematic Name (OpenEye OEToolkits)[(2R,3S,4S)-5-[7,8-dimethyl-2,4-bis(oxidanylidene)-1,5-dihydrobenzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate
FormulaC17 H23 N4 O9 P
Molecular Weight458.36
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01c23N(C=1NC(=O)NC(=O)C=1Nc2cc(C)c(C)c3)CC(O)C(O)C(O)COP(O)(=O)O
SMILESCACTVS3.385Cc1cc2NC3=C(NC(=O)NC3=O)N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
SMILESOpenEye OEToolkits1.7.6Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)CC(C(C(COP(=O)(O)O)O)O)O
Canonical SMILESCACTVS3.385 Cc1cc2NC3=C(NC(=O)NC3=O)N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C
Canonical SMILESOpenEye OEToolkits1.7.6 Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
InChIInChI1.03 InChI=1S/C17H23N4O9P/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/h3-4,11-12,14,18,22-24H,5-6H2,1-2H3,(H2,27,28,29)(H2,19,20,25,26)/t11-,12+,14-/m0/s1
InChIKeyInChI1.03 YTNIXZGTHTVJBW-SCRDCRAPSA-N

Related Resource References

Resource NameReference
PubChem 445395, 136749967, 101960650
ChEBI CHEBI:16048