Mol:BMCCPPPR0008

From Metabolomics.JP
Revision as of 09:00, 14 March 2009 by Editor (Talk | contribs)

(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search

BMCCPPPR0008.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 60 64  0  0  0  0  0  0  0  0999 V2000 
    6.2529   -1.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.1578   -3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.2778   -3.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0651   -2.5629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.0459   -2.3678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.8774   -1.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.0860   -1.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.5499   -0.7873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.6281   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.4330    0.9808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.8774    1.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.9725    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.8525    3.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0651    2.5629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.0844    2.3678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.2529    1.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0443    1.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5804    0.7873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5022    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.6973   -0.9808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.0844   -2.3678    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   10.4330   -0.9808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    5.6973    0.9808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   10.8252    3.5433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.7990    4.5430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.6516    5.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5218    2.7600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5222    2.7338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9997    3.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.3051   -3.5433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.3313   -4.5430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4787   -5.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6080    0.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3240   -0.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.5113   -4.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.4701   -4.7412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.6190    4.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.6602    4.7412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.0459    2.3678    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   12.5223   -0.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   12.8063    0.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.6085   -2.7600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   12.6081   -2.7338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   13.1306   -3.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   12.5304    4.5883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   11.6254    6.0651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4768    4.4653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    3.5603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5999   -4.5883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5048   -6.0651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0123   -1.1303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3516   -0.6384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.1954   -4.0528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.7035   -5.7135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.9348    4.0528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.4268    5.7135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   12.1179    1.1303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   13.7787    0.6384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   12.6535   -4.4653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   14.1303   -3.5603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 26 45  1  0  0  0  0 
  1 21  1  0  0  0  0 
 32 50  2  0  0  0  0 
 28 29  1  0  0  0  0 
 18 33  1  0  0  0  0 
  4  3  2  0  0  0  0 
  3  2  1  0  0  0  0 
  2  1  2  0  0  0  0 
 21  4  1  0  0  0  0 
 17 16  2  0  0  0  0 
 24 25  1  0  0  0  0 
 33 34  1  0  0  0  0 
 23 19  1  0  0  0  0 
 19 18  2  0  0  0  0 
 18 17  1  0  0  0  0 
 16 23  1  0  0  0  0 
 29 47  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20  1  1  0  0  0  0 
 34 51  1  0  0  0  0 
  4  5  1  0  0  0  0 
 26 46  2  0  0  0  0 
  5  6  1  0  0  0  0 
  9 22  1  0  0  0  0 
 34 52  2  0  0  0  0 
 29 48  2  0  0  0  0 
 12 24  1  0  0  0  0 
  3 35  1  0  0  0  0 
  6  7  2  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
 22  6  1  0  0  0  0 
 13 14  2  0  0  0  0 
 25 26  1  0  0  0  0 
 35 36  1  0  0  0  0 
  2 30  1  0  0  0  0 
 39 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 14 39  1  0  0  0  0 
 36 53  1  0  0  0  0 
 11 10  1  0  0  0  0 
 10  9  1  0  0  0  0 
 17 27  1  0  0  0  0 
 14 15  1  0  0  0  0 
 36 54  2  0  0  0  0 
 15 16  1  0  0  0  0 
 30 31  1  0  0  0  0 
  8 40  1  0  0  0  0 
 40 41  1  0  0  0  0 
 13 37  1  0  0  0  0 
 41 57  1  0  0  0  0 
 31 32  1  0  0  0  0 
 41 58  2  0  0  0  0 
 37 38  1  0  0  0  0 
  7 42  1  0  0  0  0 
 27 28  1  0  0  0  0 
 42 43  1  0  0  0  0 
 38 55  1  0  0  0  0 
 43 44  1  0  0  0  0 
 32 49  1  0  0  0  0 
 44 59  1  0  0  0  0 
 38 56  2  0  0  0  0 
 44 60  2  0  0  0  0 
S  SKP  7 
ID	BMCCPPPR0008 
NAME	Uroporphyrinogen I 
FORMULA	C40H44N4O16 
EXACTMASS	836.2752 
AVERAGEMASS	836.7947 
SMILES	C(O)(=O)Cc(c21)c(c(Cc(c5CC(O)=O)nc(c5CCC(O)=O)Cc(c4CC(O)=O)nc(c4CCC(O)=O)Cc(c3CC(O)=O)nc(c3CCC(O)=O)C2)n1)CCC(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C05766 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox