Mol:BMMCTZ--e006

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

BMMCTZ--e006.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 33 34  0  0  1  0  0  0  0  0999 V2000
    3.7321    0.8945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6055    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -2.1055    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -0.2691    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2437   -1.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.6055    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.4347    0.3890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4128    0.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6915    1.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8195    1.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8141    1.6150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5616   -3.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6106   -3.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4026   -2.2994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4516   -1.9904    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.2208    2.5286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2153    2.6331    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.3198    1.6386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1108    3.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2098    2.7376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6166    3.6512    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   12.5301    3.2444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7030    4.0579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0233    4.5647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7695   -4.5647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3048   -2.9174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7084   -2.6595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 12 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11 21  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
  9  5  1  0  0  0  0
 21 20  1  0  0  0  0
 21 33  1  4  0  0  0
 14 16  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  2  0  0  0  0
 20 19  1  0  0  0  0
 16 17  1  0  0  0  0
  4  3  2  0  0  0  0
  4  8  1  0  0  0  0
  6  1  1  0  0  0  0
 19 18  1  0  0  0  0
 17 22  1  0  0  0  0
  3  2  1  0  0  0  0
 18 32  1  0  0  0  0
 18 31  2  0  0  0  0
 22 23  1  0  0  0  0
  2  7  1  0  0  0  0
 23 26  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 26 27  1  0  0  0  0
 27 29  1  0  0  0  0
 27 28  1  0  0  0  0
 27 30  2  0  0  0  0
 10 14  1  0  0  0  0
  1  2  2  0  0  0  0
S  SKP  7
ID	BMMCTZ--e006
NAME	2-(Succinyl)-thiamine diphosphate
FORMULA	C16H25N4O10P2S
EXACTMASS	527.0766
AVERAGEMASS	527.4041
SMILES	OC(=O)CCC(O)c(s1)[n+1](Cc(c2)c(N)nc(C)n2)c(C)c(CCOP(O)(=O)OP(O)(O)=O)1
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C05381
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox