Mol:BMMCPYURS601

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

BMMCPYURS601.png 

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 68 70  0  0  1  0  0  0  0  0999 V2000 
    4.9836   -3.1164    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    5.3903   -2.2028    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    4.8025   -1.3938    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    3.8080   -1.4983    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    3.4013   -2.4119    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.4067   -2.5164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5714   -3.9254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3848   -2.0983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    6.7916   -1.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.7861   -1.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.1928   -0.1667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    9.1873   -0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.5941    0.8514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.5886    0.9559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.9953    1.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.9899    1.9740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   12.3966    2.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   13.3911    2.9921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   13.7979    3.9056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   14.7924    4.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   15.1991    4.9237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   16.1936    5.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.2038   -0.3757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.6050    0.6423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6215    0.3288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0282    1.2423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4404    2.0513    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    4.8472    2.9649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2594    3.7739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6661    4.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0783    5.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4851    6.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8973    7.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3040    8.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7162    8.9416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1230    9.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5352   10.6641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9419   11.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6269    0.2242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2093   -0.4803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4459    1.9468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2202   -0.6893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9890   -3.2209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -3.4299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   10.8183   -8.5777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    9.9522   -9.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.9522  -10.0777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   10.8183  -10.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.6843  -10.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.6843   -9.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.0862   -8.5777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   10.8183  -11.5777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   10.8183   -7.5777    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   11.6273   -6.9899    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   11.3183   -6.0388    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   10.3183   -6.0388    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    9.7305   -5.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   12.6273   -6.9899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   11.9061   -5.2298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   10.0093   -6.9899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.7360   -5.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.1482   -4.5253    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    7.3392   -5.1131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9572   -3.9376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.5604   -3.7163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.5659   -3.8208    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    6.6704   -4.8154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.4613   -2.8263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 26 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
 34 35  1  0  0  0  0 
 35 36  1  0  0  0  0 
 36 37  1  0  0  0  0 
 37 38  1  0  0  0  0 
 25 40  1  0  0  0  0 
 25 39  2  0  0  0  0 
 26 25  1  0  0  0  0 
 27 41  1  4  0  0  0 
  5 43  1  6  0  0  0 
  5  4  1  0  0  0  0 
  4  3  1  0  0  0  0 
  3  2  1  0  0  0  0 
  2  1  1  0  0  0  0 
  1 43  1  0  0  0  0 
  5  6  1  0  0  0  0 
  1  7  1  4  0  0  0 
  3 40  1  6  0  0  0 
  4 42  1  1  0  0  0 
  2  8  1  1  0  0  0 
  6 44  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  9  8  1  0  0  0  0 
  9 23  2  0  0  0  0 
 10  9  1  0  0  0  0 
 11 24  1  4  0  0  0 
 56 60  1  6  0  0  0 
 56 55  1  0  0  0  0 
 53 60  1  6  0  0  0 
 55 54  1  0  0  0  0 
 53 54  1  0  0  0  0 
 53 45  1  0  0  0  0 
 54 58  1  1  0  0  0 
 55 59  1  1  0  0  0 
 47 48  1  0  0  0  0 
 47 46  1  0  0  0  0 
 46 45  1  0  0  0  0 
 45 50  1  0  0  0  0 
 50 49  2  0  0  0  0 
 49 48  1  0  0  0  0 
 48 52  2  0  0  0  0 
 46 51  2  0  0  0  0 
 56 57  1  0  0  0  0 
 57 61  1  0  0  0  0 
 61 62  1  0  0  0  0 
 62 65  1  0  0  0  0 
 66 65  1  0  0  0  0 
 62 64  1  0  0  0  0 
 62 63  2  0  0  0  0 
 66  7  1  0  0  0  0 
 66 67  1  0  0  0  0 
 66 68  2  0  0  0  0 
S  SKP  7 
ID	BMMCPYURS601 
NAME	UDP-2,3-bis(3-hydroxy-tetradecanoyl)-glucosamine 
FORMULA	C43H77N3O20P2 
EXACTMASS	1017.4575 
AVERAGEMASS	1018.0272 
SMILES	O=C(CC(CCCCCCCCCCC)O)O[C@@H]([C@@H]1O)[C@H](C(OP(O)(=O)OP(OC[C@H]([C@@H](O)2)O[C@@H](N(C=3)C(=O)NC(C3)=O)[C@@H]2O)(O)=O)O[C@H](CO)1)NC(=O)CC(O)CCCCCCCCCCC 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C04652 
M  END
Retrieved from "http://metabolomics.jp/mediawiki/index.php?title=Mol:BMMCPYURS601&oldid=179639"
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox