Mol:BMAXS5CAe003
From Metabolomics.JP
(Difference between revisions)
| Line 38: | Line 38: | ||
S SKP 7 | S SKP 7 | ||
ID BMAXS5CAe003 | ID BMAXS5CAe003 | ||
| − | NAME | + | NAME (2S) -2-Acetamido-5-oxo-5-phosphonooxypentanoic acid |
| + | CAS_RN 15383-57-0 | ||
FORMULA C7H12NO8P | FORMULA C7H12NO8P | ||
EXACTMASS 269.03 | EXACTMASS 269.03 | ||
Latest revision as of 17:29, 11 June 2010
Copyright: ARM project http://www.metabolome.jp/
17 16 0 0 1 0 0 0 0 0999 V2000
5.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 1.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.7321 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -2.2500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 6 1 6 0 0 0
2 1 1 0 0 0 0
1 9 2 0 0 0 0
2 3 1 0 0 0 0
4 3 1 0 0 0 0
5 12 2 0 0 0 0
4 5 1 0 0 0 0
5 13 1 0 0 0 0
1 10 1 0 0 0 0
7 8 1 0 0 0 0
7 11 2 0 0 0 0
6 7 1 0 0 0 0
13 14 1 0 0 0 0
14 17 1 0 0 0 0
14 15 1 0 0 0 0
14 16 2 0 0 0 0
S SKP 7
ID BMAXS5CAe003
NAME (2S) -2-Acetamido-5-oxo-5-phosphonooxypentanoic acid
CAS_RN 15383-57-0
FORMULA C7H12NO8P
EXACTMASS 269.03
AVERAGEMASS 269.1458
SMILES CC(=O)N[C@@H](CCC(=O)OP(O)(O)=O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04133
M END
