Mol:BMAXS3SFe001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 24 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 2 0 0 0 0 0 0 0 0 0
7.1962 4.1830 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 5.1830 0.0000 S 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
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
3.7321 -2.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 3.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 5.1830 0.0000 O 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
2 4 1 1 0 0 0
2 1 1 0 0 0 0
1 17 2 0 0 0 0
3 5 1 0 0 0 0
2 3 1 0 0 0 0
1 16 1 0 0 0 0
21 15 1 0 0 0 0
15 12 1 0 0 0 0
12 11 1 0 0 0 0
11 10 1 0 0 0 0
11 20 1 6 0 0 0
10 19 2 0 0 0 0
10 9 1 0 0 0 0
9 8 1 0 0 0 0
8 7 1 0 0 0 0
6 4 1 0 0 0 0
6 18 2 0 0 0 0
7 6 1 0 0 0 0
12 13 1 0 0 0 0
12 14 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
22 25 1 0 0 0 0
22 24 2 0 0 0 0
S SKP 7
ID BMAXS3SFe001
NAME (2R) -2- [3- [ [(2R) -2-Hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl] amino] propanoylamino] -3-sulfanylpropanoic acid
CAS_RN 7196-09-0
FORMULA C12H23N2O9PS
EXACTMASS 402.0861
AVERAGEMASS 402.3588
SMILES SC[C@@H](C(O)=O)NC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04352
M END
