Mol:BMAXS3AKe004
From Metabolomics.JP
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Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 1 0 0 0 0 0999 V2000
8.9282 4.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.6830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.3170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.8170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 -2.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0981 -1.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0981 -3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 5.1830 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.3170 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 -3.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -5.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10 9 1 0 0 0 0
10 13 1 0 0 0 0
10 12 1 0 0 0 0
10 11 1 0 0 0 0
11 18 1 0 0 0 0
9 17 1 6 0 0 0
9 8 1 0 0 0 0
8 16 2 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 4 1 0 0 0 0
4 3 1 0 0 0 0
4 15 2 0 0 0 0
3 2 1 0 0 0 0
2 1 1 0 0 0 0
1 14 1 0 0 0 0
18 19 1 0 0 0 0
19 22 1 0 0 0 0
19 20 1 0 0 0 0
19 21 2 0 0 0 0
S SKP 7
ID BMAXS3AKe004
NAME D-Pantetheine 4'-phosphate
FORMULA C11H23N2O7PS
EXACTMASS 358.0963
AVERAGEMASS 358.3493
SMILES SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01134
M END
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