Mol:BMCCPPCB0011

From Metabolomics.JP
Revision as of 11:41, 16 June 2010 by Editor (Talk | contribs)

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

BMCCPPCB0011.png 

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 64 71  0  0  1  0  0  0  0  0999 V2000 
    9.0980    0.8582    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    9.9296    0.7053    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   10.0412   -0.1328    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    9.2785   -0.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.0672   -1.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.2785   -1.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0580   -2.1766    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    7.3444   -2.1766    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    7.1238   -1.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3352   -1.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.1238   -0.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4451   -0.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4451    0.4363    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    6.1238    0.6568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3352    1.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1238    1.6568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.4890    2.4194    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    8.3271    2.3078    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    8.4800    1.4762    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    8.7012    0.0794    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0 
    7.7012   -0.9206    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0 
    6.7012    0.0794    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0 
    7.7012    1.0794    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0 
    8.9660    1.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.1104    1.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.9208    0.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.3022    1.7617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.0412   -0.1328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.5412   -0.9988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   12.5412   -0.9988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.7743   -1.9937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.0091   -2.4856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0580   -3.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9240   -3.6766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.7566   -2.9856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1633   -3.8992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.5755   -4.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.1361   -1.2284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4451   -0.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6361    1.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7226    0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9135    1.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.6281    2.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.5870    2.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.6209    3.4107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.8285    4.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.9604    5.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.0165    3.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.7339    3.9914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.7901   -3.1766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   10.6923    2.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0181    2.1996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    0.7984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5810   -4.6037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.9823   -5.6218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9240   -4.6766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   13.0412   -0.1328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   13.0412   -1.8648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.8849    5.3932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.1680    5.6218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.7619    4.2263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.4233    4.7158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   12.2934    1.8937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.7012    0.0794    0.0000 Co  0  2  0  0  0  0  0  0  0  0  0  0 
 12 13  1  0  0  0  0 
 37 54  1  0  0  0  0 
 13 14  1  0  0  0  0 
 37 55  2  0  0  0  0 
 22 11  1  0  0  0  0 
 33 34  1  0  0  0  0 
 19 18  1  0  0  0  0 
 34 50  1  0  0  0  0 
 28 29  1  0  0  0  0 
 34 56  2  0  0  0  0 
 45 46  1  0  0  0  0 
 29 30  1  0  0  0  0 
 23 16  1  0  0  0  0 
 30 57  1  0  0  0  0 
 17 16  1  0  0  0  0 
 30 58  2  0  0  0  0 
 17 18  1  0  0  0  0 
 19 23  1  0  0  0  0 
 16 15  2  0  0  0  0 
 15 14  1  0  0  0  0 
 12 38  1  0  0  0  0 
 46 47  1  0  0  0  0 
 11 10  2  0  0  0  0 
 10  9  1  0  0  0  0 
  6 21  1  0  0  0  0 
  7 32  1  1  0  0  0 
  3 28  1  6  0  0  0 
 47 59  1  0  0  0  0 
  9  8  1  0  0  0  0 
 47 60  2  0  0  0  0 
  8  7  1  0  0  0  0 
 18 48  1  1  0  0  0 
  7  6  1  0  0  0  0 
 48 49  1  0  0  0  0 
 21  9  2  0  0  0  0 
 49 61  1  0  0  0  0 
  2  1  1  0  0  0  0 
 49 62  2  0  0  0  0 
 13 40  1  6  0  0  0 
 20  4  2  0  0  0  0 
  4  3  1  0  0  0  0 
  3  2  1  0  0  0  0 
  1 20  1  1  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
 17 44  1  6  0  0  0 
 19  1  1  6  0  0  0 
 40 41  1  0  0  0  0 
  7 33  1  6  0  0  0 
 41 42  1  0  0  0  0 
  8 35  1  6  0  0  0 
  2 26  1  6  0  0  0 
 35 36  1  0  0  0  0 
  2 25  1  1  0  0  0 
 42 52  2  0  0  0  0 
 26 27  1  0  0  0  0 
 14 22  2  0  0  0  0 
 27 51  1  0  0  0  0 
 42 53  1  0  0  0  0 
 27 63  2  0  0  0  0 
  1 24  1  6  0  0  0 
 17 45  1  1  0  0  0 
  5 31  1  0  0  0  0 
 11 12  1  0  0  0  0 
 15 43  1  0  0  0  0 
 12 39  1  0  0  0  0 
 23 64  1  0  0  0  0 
 20 64  1  0  0  0  0 
 21 64  1  0  0  0  0 
 36 37  1  0  0  0  0 
 64 22  1  0  0  0  0 
S  SKP  7 
ID	BMCCPPCB0011 
NAME	3- [(1R,2S,3S,4Z,7S,8S,9Z,13S,14Z,17R,18R,19R) -2,7-Bis (2-Amino-2-oxoethyl) -8,13,17-tris(2-carboxyethyl) -18- (carboxymethyl) -1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-21-id-3-yl] propanoic acid; cobalt(2+) 
FORMULA	C45H61CoN6O12 
EXACTMASS	936.3679 
AVERAGEMASS	936.9322 
SMILES	OC(=O)C[C@@H]([C@@H]83)[C@](CCC(O)=O)(C)C(N86)=C(C(=N51)[C@@H](CCC(O)=O)C(C)(C)C1=CC(=N72)[C@H]([C@@](C)(C(=C(C(=N([Co+2]567)4)[C@H]([C@]([C@@]34C)(C)CC(N)=O)CCC(O)=O)C)2)CC(N)=O)CCC(O)=O)C 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C06504 
M  END
Retrieved from "http://metabolomics.jp/mediawiki/index.php?title=Mol:BMCCPPCB0011&oldid=176696"
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox