Mol:BMCCPUADc016
From Metabolomics.JP
(Difference between revisions)
| Line 61: | Line 61: | ||
S SKP 7 | S SKP 7 | ||
ID BMCCPUADc016 | ID BMCCPUADc016 | ||
| − | NAME | + | 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 | FORMULA C15H23N6O5Se | ||
EXACTMASS 447.0895 | EXACTMASS 447.0895 | ||
Latest revision as of 17:15, 15 June 2010
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
