Mol:BMMCIZ--S532
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
37 39 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
10.6632 0.9587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.6577 0.8542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
12.1577 1.7202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
13.1359 1.5123 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
13.2404 0.5178 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
14.1064 0.0178 0.0000 C 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
9.9611 -2.7930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.7510 2.6337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.8790 2.1814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.3269 0.1110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.1064 -0.9822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.9725 -1.4822 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
14.4725 -2.3483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.8385 -1.9822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.4725 -0.6162 0.0000 O 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
2.0000 1.4632 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
17 16 1 0 0 0 0
16 32 1 6 0 0 0
19 32 1 6 0 0 0
19 18 1 0 0 0 0
18 17 1 0 0 0 0
19 20 1 0 0 0 0
16 1 1 0 0 0 0
18 31 1 1 0 0 0
17 30 1 1 0 0 0
20 33 1 0 0 0 0
33 34 1 0 0 0 0
34 37 1 0 0 0 0
34 35 1 0 0 0 0
34 36 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 21 2 0 0 0 0
4 6 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
13 14 1 0 0 0 0
14 24 1 1 0 0 0
11 24 1 1 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
11 10 1 0 0 0 0
14 15 1 0 0 0 0
12 22 1 6 0 0 0
13 23 1 6 0 0 0
15 25 1 0 0 0 0
25 26 1 0 0 0 0
26 29 1 0 0 0 0
26 27 1 0 0 0 0
26 28 2 0 0 0 0
S SKP 7
ID BMMCIZ--S532
NAME [(2R,3S,4R,5R) -5- [4-Carbamoyl-5- [ [(E) - [(2R,3R,4S,5R) -3,4-dihydroxy-5- (phosphonooxymethyl) oxolan-2-yl] Iminomethyl] amino] imidazol-1-yl] -3,4-dihydroxyoxolan-2-yl] methyl dihydrogen phosphate
CAS_RN 36244-83-4
FORMULA C15H25N5O15P2
EXACTMASS 577.0822381749999
AVERAGEMASS 577.331222
SMILES NC(=O)c(n2)c(N=CN[C@H](O3)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)3)n(c2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1
SMILES NC(=O)c(n2)c(N=CN[C@H](O3)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)3)n(c2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1
M END
