Ketcher 09011511542D 1   1.00000     0.00000     0

 31 33  0     1  0            999 V2000
    0.8661    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8661   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8661    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8661   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5982   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5982    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7320   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4640    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4640   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8661    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8661    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5982    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5982    5.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5982    6.5000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.4642    6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  2  0     0  0
  2  1  1  0     0  0
  9  2  1  0     0  0
  3  1  1  0     0  0
 22  3  1  0     0  0
  4  2  2  0     0  0
  5  3  1  0     0  0
 11  5  2  0     0  0
  6  4  1  0     0  0
  6  5  1  0     0  0
 12  6  2  0     0  0
 10  7  1  0     0  0
 10  8  1  0     0  0
  9  8  1  0     0  0
 15  9  2  0     0  0
 16 10  2  0     0  0
 13 11  1  0     0  0
 14 12  1  0     0  0
 14 13  2  0     0  0
 17 13  1  0     0  0
 18 14  1  0     0  0
 19 26  1  0     0  0
 20 19  1  0     0  0
 19 23  1  1     0  0
 21 20  1  0     0  0
 20 24  1  6     0  0
 22 21  1  0     0  0
 21 25  1  1     0  0
 26 27  1  0     0  0
 27 30  1  0     0  0
 30 28  2  0     0  0
 30 29  1  0     0  0
 30 31  1  0     0  0
M  END
> <ID>
CHEBI:17621

> <NAME>
FMN

> <DEFINITION>
A flavin mononucleotide that is riboflavin (vitamin B2) in which the primary hydroxy group has been converted to its dihydrogen phosphate ester.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:42587; CHEBI:4960; CHEBI:13317; CHEBI:21127

> <SYNONYM>
riboflavine dihydrogen phosphate; Riboflavin-5-phosphate; riboflavin monophosphate; riboflavin 5'-phosphate; riboflavin 5'-monophosphate; riboflavin 5'-(dihydrogen phosphate); FMN; FLAVIN MONONUCLEOTIDE; Flavin mononucleotide

> <IUPAC_NAME>
1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol

> <FORMULA>
C17H21N4O9P

> <MASS>
456.344

> <MONOISOTOPIC_MASS>
456.10462

> <CHARGE>
0

> <SMILES>
C12=NC(NC(C1=NC=3C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)=CC(=C(C3)C)C)=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

> <INCHIKEY>
FVTCRASFADXXNN-SCRDCRAPSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
68086

> <CAS_REGISTRY_NUMBER>
146-17-8

> <GMELIN_REGISTRY_NUMBER>
477717

> <REAXYS_REGISTRY_NUMBER>
68086

> <CHEMIDPLUS>
146-17-8

> <DRUGBANK_ACCESSION>
DB03247

> <KEGG_COMPOUND_ACCESSION>
C00061

> <KNAPSACK_ACCESSION>
C00019686

> <PDBECHEM_ACCESSION>
FMN

> <WIKIPEDIA_ACCESSION>
Flavin_mononucleotide

> <PUBMED_CITATION>
13973054; 23500531; 23570607; 24643482; 25108762

$$$$