Mol:BMMCIZ--S532

From Metabolomics.JP
Jump to: navigation, search

BMMCIZ--S532.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 37 39  0  0  1  0  0  0  0  0999 V2000 
    7.4931   -0.5548    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1841   -1.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.9931   -2.0937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    8.8021   -1.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.4931   -0.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.7532   -1.8149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.4963   -1.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    9.0809    0.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   10.0754    0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.6632    0.9587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   11.6577    0.8542    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   12.1577    1.7202    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   13.1359    1.5123    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   13.2404    0.5178    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   14.1064    0.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.9053    0.2542    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    7.2143    1.2053    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    6.4053    1.7930    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    5.5963    1.2053    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    4.6453    1.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.9611   -2.7930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   11.7510    2.6337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   13.8790    2.1814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   12.3269    0.1110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   14.1064   -0.9822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   14.9725   -1.4822    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
   14.4725   -2.3483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   15.8385   -1.9822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   15.4725   -0.6162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.1654    1.5143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.4053    2.7930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.9053    0.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9021    0.8451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9511    1.1542    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6420    0.2031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.4632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2601    2.1052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 17 16  1  0  0  0  0 
 16 32  1  6  0  0  0 
 19 32  1  6  0  0  0 
 19 18  1  0  0  0  0 
 18 17  1  0  0  0  0 
 19 20  1  0  0  0  0 
 16  1  1  0  0  0  0 
 18 31  1  1  0  0  0 
 17 30  1  1  0  0  0 
 20 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
 34 37  1  0  0  0  0 
 34 35  1  0  0  0  0 
 34 36  2  0  0  0  0 
  5  4  2  0  0  0  0 
  4  3  1  0  0  0  0 
  3  2  2  0  0  0  0 
  2  1  1  0  0  0  0 
  1  5  1  0  0  0  0 
  5  8  1  0  0  0  0 
  6  7  1  0  0  0  0 
  6 21  2  0  0  0  0 
  4  6  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 24  1  1  0  0  0 
 11 24  1  1  0  0  0 
 11 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 11 10  1  0  0  0  0 
 14 15  1  0  0  0  0 
 12 22  1  6  0  0  0 
 13 23  1  6  0  0  0 
 15 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 29  1  0  0  0  0 
 26 27  1  0  0  0  0 
 26 28  2  0  0  0  0 
S  SKP  7 
ID	BMMCIZ--S532 
NAME	[(2R,3S,4R,5R) -5- [4-Carbamoyl-5- [ [(E) - [(2R,3R,4S,5R) -3,4-dihydroxy-5- (phosphonooxymethyl) oxolan-2-yl] Iminomethyl] amino] imidazol-1-yl] -3,4-dihydroxyoxolan-2-yl] methyl dihydrogen phosphate 
CAS_RN	36244-83-4 
FORMULA	C15H25N5O15P2 
EXACTMASS	577.0822381749999 
AVERAGEMASS	577.331222 
SMILES	NC(=O)c(n2)c(N=CN[C@H](O3)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)3)n(c2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox