Mol:BMCCPUADc016

From Metabolomics.JP
Jump to: navigation, search

BMCCPUADc016.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  1  0  0  0  0  0999 V2000 
    5.8348    4.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0257    3.8881    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    5.1303    2.8936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3213    2.3058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1122    4.2949    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4258    1.3113    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0 
    5.3393    0.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.7302    5.4704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.7483    4.0692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8406   -5.4704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9746   -4.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9746   -3.9704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8406   -3.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.7067   -3.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.7067   -4.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.4498   -3.3013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    6.0431   -2.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0485   -2.4923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    6.5727   -5.4704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3794   -1.7491    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    3.3849   -1.8537    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.9781   -0.9401    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    3.7213   -0.2710    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    3.6168    0.7235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8849   -2.7197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -0.7322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5873   -0.7710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 13 18  1  0  0  0  0 
 18 17  1  0  0  0  0 
 17 16  2  0  0  0  0 
 16 14  1  0  0  0  0 
 23 27  1  1  0  0  0 
 15 19  1  0  0  0  0 
 23 22  1  0  0  0  0 
 22 26  1  6  0  0  0 
 22 21  1  0  0  0  0 
 21 25  1  6  0  0  0 
 10 11  2  0  0  0  0 
 23 24  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
  2  1  1  0  0  0  0 
 14 15  2  0  0  0  0 
  2  3  1  0  0  0  0 
 15 10  1  0  0  0  0 
  3  4  1  0  0  0  0 
 21 20  1  0  0  0  0 
  2  5  1  6  0  0  0 
 20 18  1  0  0  0  0 
  1  9  1  0  0  0  0 
  1  8  2  0  0  0  0 
 20 27  1  1  0  0  0 
  4  6  1  0  0  0  0 
 14 13  1  0  0  0  0 
  6  7  1  0  0  0  0 
 24  6  1  0  0  0  0 
S  SKP  7 
ID	BMCCPUADc016 
NAME	(3-Amino-4-hydroxy-4-oxobutyl) - [ [(2S,3S,4R,5R) -5- (6-aminopurin-9-yl) -3,4-dihydroxyoxolan-2-yl] methyl] -methylselanium 
CAS_RN	93529-23-8 
FORMULA	C15H23N6O5Se 
EXACTMASS	447.0895 
AVERAGEMASS	446.3405 
SMILES	OC(=O)[C@@H](N)CC[Se](C)C[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c3)c(n2)c(n3)c(N)nc2 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C05691 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox