Mrv0541 11071309362D          

 30 33  0  0  0  0            999 V2000
    1.5389   -0.3771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5389   -1.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8244    0.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2533    0.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8244   -1.6145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2533   -1.6145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1100   -0.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8244    0.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1100   -1.2020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8244   -2.4395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2533   -2.4395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6045    0.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1099    1.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9678   -1.2020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5389   -2.8520    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    0.1100   -2.8520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9678   -2.8520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6045    0.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1099    2.0979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6823    0.8604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3190    1.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9678   -0.3771    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6823    0.0354    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3967   -0.3771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1504   -0.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4830   -1.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7024   -0.6546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2900   -1.3691    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.0045   -1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0765   -2.1660    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4 22  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7  9  1  0  0  0  0
  8 13  2  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  2  0  0  0  0
 11 15  1  0  0  0  0
 12 18  2  0  0  0  0
 13 19  1  0  0  0  0
 13 18  1  0  0  0  0
 22 14  1  1  0  0  0
 18 21  1  0  0  0  0
 23 20  1  6  0  0  0
 22 23  1  0  0  0  0
 25 24  1  0  0  0  0
 24 26  1  1  0  0  0
 27 25  1  0  0  0  0
 28 26  1  0  0  0  0
 28 27  1  0  0  0  0
 23 24  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
M  CHG  2  15  -1  30  -1
M  END
> <ID>
CHEBI:76202

> <NAME>
riboflavin cyclic 4',5'-phosphate(2-)

> <DEFINITION>
An organophosphate oxoanion obtained by deprotonation of the phosphate and imido groups of riboflavin cyclic-4',5'-phosphate; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
riboflavin cyclic-4',5'-phosphate

> <IUPAC_NAME>
(4R)-4-[(1S,2S)-3-(7,8-dimethyl-2,4-dioxo-2H-benzo[g]pteridin-3-id-10(4H)-yl)-1,2-dihydroxypropyl]-1,3,2-dioxaphospholan-2-olate 2-oxide

> <FORMULA>
C17H17N4O8P

> <MASS>
436.31260

> <MONOISOTOPIC_MASS>
436.07950

> <CHARGE>
-2

> <SMILES>
Cc1cc2nc3c(nc(=O)[n-]c3=O)n(C[C@H](O)[C@H](O)[C@H]3COP([O-])(=O)O3)c2cc1C

> <INCHI>
InChI=1S/C17H19N4O8P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(24)20-17(25)19-15)5-11(22)14(23)12-6-28-30(26,27)29-12/h3-4,11-12,14,22-23H,5-6H2,1-2H3,(H2,20,24,25,26,27)/p-2/t11-,12+,14-/m0/s1

> <INCHIKEY>
SMKHGBWIQRWNLE-SCRDCRAPSA-L

> <METACYC_ACCESSION>
CPD-12658

> <PUBMED_CITATION>
9480905

$$$$