Mol:BMCCPPPR0002

From Metabolomics.JP
Revision as of 09:00, 7 October 2008 by Editor (Talk | contribs)

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

BMCCPPPR0002.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 48 52  0  0  0  0  0  0  0  0999 V2000
   10.6281   -0.3705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5499   -1.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0860   -2.2779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8774   -2.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0459   -2.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0651   -2.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2778   -3.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1578   -3.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2529   -2.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6973   -1.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5022   -0.3705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5804    0.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0443    1.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2529    1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0844    1.9973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0651    2.1924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8525    3.1142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9725    2.6503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8774    1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4330    0.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4330   -1.3513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0844   -2.7384    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6973    0.6102    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0459    1.9973    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5499   -1.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6085   -3.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6081   -3.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1306   -3.9570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5113   -4.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3051   -3.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3313   -4.9135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4787   -5.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6080    0.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5218    2.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5222    2.3633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9997    3.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6190    4.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3444    4.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1110    5.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8252    3.1728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4768    4.0948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.1898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5999   -4.9589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5048   -6.4357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6535   -4.8358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1303   -3.9308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1521    6.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8363    6.4357    0.0000 O   0  0  0  0  0  0  0  0  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
 30 31  1  0  0  0  0
 23 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 14 23  1  0  0  0  0
 31 32  1  0  0  0  0
 11 10  1  0  0  0  0
 10  9  1  0  0  0  0
 34 35  1  0  0  0  0
  6  5  1  0  0  0  0
 32 43  1  0  0  0  0
  5  4  1  0  0  0  0
  1 21  1  0  0  0  0
 32 44  2  0  0  0  0
 35 36  1  0  0  0  0
 12 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
 36 41  1  0  0  0  0
  7 29  1  0  0  0  0
 24 19  1  0  0  0  0
 19 18  2  0  0  0  0
 18 17  1  0  0  0  0
 16 24  1  0  0  0  0
 19 20  1  0  0  0  0
 20  1  1  0  0  0  0
 36 42  2  0  0  0  0
 16 15  1  0  0  0  0
 17 37  1  0  0  0  0
 15 14  1  0  0  0  0
 18 40  1  0  0  0  0
  2 25  1  0  0  0  0
  9 22  1  0  0  0  0
  3 26  1  0  0  0  0
 26 27  1  0  0  0  0
  8 30  1  0  0  0  0
 27 28  1  0  0  0  0
 13 34  1  0  0  0  0
 28 45  1  0  0  0  0
  6  7  2  0  0  0  0
 28 46  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 47  1  0  0  0  0
 39 48  2  0  0  0  0
S  SKP  7
ID	BMCCPPPR0002
NAME	Coproporphyrinogen III
FORMULA	C36H44N4O8
EXACTMASS	660.3159
AVERAGEMASS	660.7567
SMILES	C(CCc(c(C)1)c(C4)nc1Cc(c(CCC(O)=O)2)nc(Cc(c3CCC(O)=O)nc(Cc(n5)c(c(c45)CCC(O)=O)C)c(C)3)c2C)(O)=O
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C03263
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox