Mol:BMMCIZ--S529
From Metabolomics.JP
(Difference between revisions)
(New page: Copyright: ARM project http://www.metabolome.jp/ 24 25 0 0 1 0 0 0 0 0999 V2000 7.4931 -0.5548 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1841 -1.5059 ...) |
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| Line 52: | Line 52: | ||
9 11 2 0 0 0 0 | 9 11 2 0 0 0 0 | ||
8 9 1 0 0 0 0 | 8 9 1 0 0 0 0 | ||
| − | S SKP | + | S SKP 7 |
| − | + | ||
ID BMMCIZ--S529 | ID BMMCIZ--S529 | ||
| + | NAME [(2R,3S,4R,5R) -5- (4-Carbamoyl-5-formamidoimidazol-1-yl) -3,4-dihydroxyoxolan-2-yl] methyl dihydrogen phosphate | ||
| + | CAS_RN 76965-57-6 | ||
FORMULA C10H15N4O9P | FORMULA C10H15N4O9P | ||
EXACTMASS 366.057664608 | EXACTMASS 366.057664608 | ||
AVERAGEMASS 366.221421 | AVERAGEMASS 366.221421 | ||
| + | SMILES O=CNc(c(C(N)=O)2)n(cn2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1 | ||
SMILES O=CNc(c(C(N)=O)2)n(cn2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1 | SMILES O=CNc(c(C(N)=O)2)n(cn2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1 | ||
M END | M END | ||
Revision as of 17:54, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/
24 25 0 0 1 0 0 0 0 0999 V2000
7.4931 -0.5548 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1841 -1.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9931 -2.0937 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.8021 -1.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4931 -0.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7532 -1.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4963 -1.1458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.0809 0.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.0754 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9611 -2.7930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6632 0.9587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9053 0.2542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.2143 1.2053 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.4053 1.7930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5963 1.2053 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.6453 1.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1654 1.5143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4053 2.7930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9053 0.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9021 0.8451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 1.1542 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
2.6420 0.2031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2601 2.1052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.4632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13 12 1 0 0 0 0
12 19 1 6 0 0 0
15 19 1 6 0 0 0
15 14 1 0 0 0 0
14 13 1 0 0 0 0
15 16 1 0 0 0 0
12 1 1 0 0 0 0
14 18 1 1 0 0 0
13 17 1 1 0 0 0
16 20 1 0 0 0 0
20 21 1 0 0 0 0
21 23 1 0 0 0 0
21 22 1 0 0 0 0
21 24 2 0 0 0 0
5 4 2 0 0 0 0
4 3 1 0 0 0 0
3 2 2 0 0 0 0
2 1 1 0 0 0 0
1 5 1 0 0 0 0
5 8 1 0 0 0 0
6 7 1 0 0 0 0
6 10 2 0 0 0 0
4 6 1 0 0 0 0
9 11 2 0 0 0 0
8 9 1 0 0 0 0
S SKP 7
ID BMMCIZ--S529
NAME [(2R,3S,4R,5R) -5- (4-Carbamoyl-5-formamidoimidazol-1-yl) -3,4-dihydroxyoxolan-2-yl] methyl dihydrogen phosphate
CAS_RN 76965-57-6
FORMULA C10H15N4O9P
EXACTMASS 366.057664608
AVERAGEMASS 366.221421
SMILES O=CNc(c(C(N)=O)2)n(cn2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1
SMILES O=CNc(c(C(N)=O)2)n(cn2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1
M END
