Mol:BMMCPYXXe002
From Metabolomics.JP
(Difference between revisions)
| Line 67: | Line 67: | ||
S SKP 7 | S SKP 7 | ||
ID BMMCPYXXe002 | ID BMMCPYXXe002 | ||
| − | NAME 2,5-Diamino- | + | NAME [5- [(2,5-Diamino-4-oxo-1H-pyrimidin-6-yl) amino] -2,3-dihydroxy-4-oxopentyl] [hydroxy(phosphonooxy) phosphoryl] hydrogen phosphate |
| + | CAS_RN 1005284-71-8 | ||
FORMULA C9H18N5O14P3 | FORMULA C9H18N5O14P3 | ||
EXACTMASS 513.0063 | EXACTMASS 513.0063 | ||
Latest revision as of 18:15, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/
31 31 0 0 1 0 0 0 0 0999 V2000
3.7321 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -6.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -5.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
7.1962 -0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
7.1962 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.2500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
7.0622 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0622 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 3.7500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
9.4282 2.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4282 4.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 5.2500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
10.7942 5.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7942 5.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 6.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 2 1 0 0 0 0
15 19 1 0 0 0 0
5 9 1 0 0 0 0
12 16 2 0 0 0 0
2 1 2 0 0 0 0
13 17 1 4 0 0 0
2 7 1 0 0 0 0
14 18 1 4 0 0 0
1 6 1 0 0 0 0
19 20 1 0 0 0 0
6 10 1 0 0 0 0
20 23 1 0 0 0 0
6 5 2 0 0 0 0
23 24 1 0 0 0 0
10 11 1 0 0 0 0
24 27 1 0 0 0 0
5 4 1 0 0 0 0
27 28 1 0 0 0 0
11 12 1 0 0 0 0
28 30 1 0 0 0 0
4 3 1 0 0 0 0
28 29 1 0 0 0 0
12 13 1 0 0 0 0
24 25 1 0 0 0 0
20 21 1 0 0 0 0
13 14 1 0 0 0 0
20 22 2 0 0 0 0
4 8 2 0 0 0 0
24 26 2 0 0 0 0
14 15 1 0 0 0 0
28 31 2 0 0 0 0
S SKP 7
ID BMMCPYXXe002
NAME [5- [(2,5-Diamino-4-oxo-1H-pyrimidin-6-yl) amino] -2,3-dihydroxy-4-oxopentyl] [hydroxy(phosphonooxy) phosphoryl] hydrogen phosphate
CAS_RN 1005284-71-8
FORMULA C9H18N5O14P3
EXACTMASS 513.0063
AVERAGEMASS 513.1858
SMILES NC(N1)=NC(NCC(=O)C(O)C(O)COP(O)(=O)OP(O)(=O)OP(O)(O)=O)=C(N)C(=O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06148
M END
