Mol:BMFYB4ESa007
From Metabolomics.JP
(Difference between revisions)
| Line 119: | Line 119: | ||
5 6 1 0 0 0 0 | 5 6 1 0 0 0 0 | ||
5 8 1 0 0 0 0 | 5 8 1 0 0 0 0 | ||
| − | S SKP | + | S SKP 7 |
ID BMFYB4ESa007 | ID BMFYB4ESa007 | ||
| − | NAME | + | NAME [4- [2- [3- [ [4- [ [ [5- (6-Aminopurin-9-yl) -4-hydroxy-3-phosphonooxyoxolan-2-yl] methoxy-hydroxyphosphoryl] oxy-hydroxyphosphoryl] oxy-2-hydroxy-3,3-dimethylbutanoyl] amino] propanoylamino] ethylsulfanyl] -4-oxobut-2-enyl] -trimethylazanium |
| + | CAS_RN 357610-20-9 | ||
FORMULA C28H49N8O17P3S | FORMULA C28H49N8O17P3S | ||
EXACTMASS 894.2149 | EXACTMASS 894.2149 | ||
AVERAGEMASS 894.7196 | AVERAGEMASS 894.7196 | ||
| + | SMILES C(=CC(=O)[SH+1]CCNC(CCNC(=O)[C@H](O)C(COP(O)(=O)OP(OC[C@H]([C@H]3OP(O)(O)=O)O[C@H]([C@@H]3O)n(c21)cnc1c(N)ncn2)(O)=O)(C)C)=O)C[N+1](C)(C)C | ||
SMILES C(=CC[N+1](C)(C)C)C(=O)[SH+1]CCNC(CCNC(=O)[C@@H](C(C)(C)COP(OP(OC[C@H]([C@@H](OP(O)(O)=O)1)O[C@@H](n(c23)cnc2c(ncn3)N)[C@@H]1O)(O)=O)(O)=O)O)=O | SMILES C(=CC[N+1](C)(C)C)C(=O)[SH+1]CCNC(CCNC(=O)[C@@H](C(C)(C)COP(OP(OC[C@H]([C@@H](OP(O)(O)=O)1)O[C@@H](n(c23)cnc2c(ncn3)N)[C@@H]1O)(O)=O)(O)=O)O)=O | ||
M END | M END | ||
Latest revision as of 17:34, 16 June 2010
Copyright: ARM project http://www.metabolome.jp/
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S SKP 7
ID BMFYB4ESa007
NAME [4- [2- [3- [ [4- [ [ [5- (6-Aminopurin-9-yl) -4-hydroxy-3-phosphonooxyoxolan-2-yl] methoxy-hydroxyphosphoryl] oxy-hydroxyphosphoryl] oxy-2-hydroxy-3,3-dimethylbutanoyl] amino] propanoylamino] ethylsulfanyl] -4-oxobut-2-enyl] -trimethylazanium
CAS_RN 357610-20-9
FORMULA C28H49N8O17P3S
EXACTMASS 894.2149
AVERAGEMASS 894.7196
SMILES C(=CC(=O)[SH+1]CCNC(CCNC(=O)[C@H](O)C(COP(O)(=O)OP(OC[C@H]([C@H]3OP(O)(O)=O)O[C@H]([C@@H]3O)n(c21)cnc1c(N)ncn2)(O)=O)(C)C)=O)C[N+1](C)(C)C
SMILES C(=CC[N+1](C)(C)C)C(=O)[SH+1]CCNC(CCNC(=O)[C@@H](C(C)(C)COP(OP(OC[C@H]([C@@H](OP(O)(O)=O)1)O[C@@H](n(c23)cnc2c(ncn3)N)[C@@H]1O)(O)=O)(O)=O)O)=O
M END
