Mol:BMAXTP--m007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 28 0 0 1 0 0 0 0 0999 V2000 | + | 29 28 0 0 1 0 0 0 0 0999 V2000 |
| − | 8.0622 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1961 -4.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1961 -4.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1961 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1961 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -2.7500 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 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7942 -7.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 -7.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7320 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7320 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 2.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.7321 2.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 2.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 2.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 6.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.3301 6.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 5.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 5.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 7.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 7.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 7.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 7.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 29 19 1 0 0 0 0 | + | 29 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 19 28 2 0 0 0 0 | + | 19 28 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 17 1 0 0 0 0 | + | 23 17 1 0 0 0 0 |
| − | 23 27 2 0 0 0 0 | + | 23 27 2 0 0 0 0 |
| − | 15 17 1 6 0 0 0 | + | 15 17 1 6 0 0 0 |
| − | 15 14 1 0 0 0 0 | + | 15 14 1 0 0 0 0 |
| − | 14 13 1 0 0 0 0 | + | 14 13 1 0 0 0 0 |
| − | 14 26 2 0 0 0 0 | + | 14 26 2 0 0 0 0 |
| − | 13 12 1 0 0 0 0 | + | 13 12 1 0 0 0 0 |
| − | 12 11 1 0 0 0 0 | + | 12 11 1 0 0 0 0 |
| − | 11 9 1 0 0 0 0 | + | 11 9 1 0 0 0 0 |
| − | 11 25 2 0 0 0 0 | + | 11 25 2 0 0 0 0 |
| − | 9 8 1 0 0 0 0 | + | 9 8 1 0 0 0 0 |
| − | 8 7 1 0 0 0 0 | + | 8 7 1 0 0 0 0 |
| − | 7 6 1 0 0 0 0 | + | 7 6 1 0 0 0 0 |
| − | 6 5 1 0 0 0 0 | + | 6 5 1 0 0 0 0 |
| − | 5 1 1 0 0 0 0 | + | 5 1 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 10 1 0 0 0 0 | + | 4 10 1 0 0 0 0 |
| − | 20 24 1 1 0 0 0 | + | 20 24 1 1 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMAXTP--m007 | + | ID BMAXTP--m007 |
| − | NAME N1-(g-L-glutamyl-L-cysteinyl-glycyl)-spermidine | + | NAME N1-(g-L-glutamyl-L-cysteinyl-glycyl)-spermidine |
| − | FORMULA C17H34N6O5S | + | FORMULA C17H34N6O5S |
| − | EXACTMASS 434.2311 | + | EXACTMASS 434.2311 |
| − | AVERAGEMASS 434.5553 | + | AVERAGEMASS 434.5553 |
| − | SMILES NCCCCNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(O)=O | + | SMILES NCCCCNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05730 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05730 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 28 0 0 1 0 0 0 0 0999 V2000
8.0622 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1961 -4.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1961 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.7500 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
5.4641 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -7.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8660 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 6.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4641 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 5.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 7.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 7.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
29 19 1 0 0 0 0
19 20 1 0 0 0 0
19 28 2 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 17 1 0 0 0 0
23 27 2 0 0 0 0
15 17 1 6 0 0 0
15 14 1 0 0 0 0
14 13 1 0 0 0 0
14 26 2 0 0 0 0
13 12 1 0 0 0 0
12 11 1 0 0 0 0
11 9 1 0 0 0 0
11 25 2 0 0 0 0
9 8 1 0 0 0 0
8 7 1 0 0 0 0
7 6 1 0 0 0 0
6 5 1 0 0 0 0
5 1 1 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 10 1 0 0 0 0
20 24 1 1 0 0 0
15 16 1 0 0 0 0
16 18 1 0 0 0 0
S SKP 7
ID BMAXTP--m007
NAME N1-(g-L-glutamyl-L-cysteinyl-glycyl)-spermidine
FORMULA C17H34N6O5S
EXACTMASS 434.2311
AVERAGEMASS 434.5553
SMILES NCCCCNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05730
M END
