Mol:BMMCIZ--S533
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
37 38 0 0 1 0 0 0 0 0999 V2000
7.4931 -1.1394 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1841 -2.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9931 -2.6782 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.8021 -2.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4931 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7532 -2.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4963 -1.7303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.0809 -0.3304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.0754 -0.4349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6632 0.3741 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.6577 0.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2455 1.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2400 0.9741 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
13.8278 1.7831 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
14.8223 1.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9053 -0.3304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.2143 0.6207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.4053 1.2085 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5963 0.6207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.6453 0.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9611 -3.3776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.8388 1.9922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.6468 0.0605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.4211 2.6967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.4101 2.4876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.4047 2.3831 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
16.3001 1.3885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.3992 2.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.5092 3.3776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1654 0.9297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4053 2.2085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9053 -0.3304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9021 0.2606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 0.5696 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
2.6420 -0.3815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.8786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2601 1.5207 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
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
12 22 2 0 0 0 0
13 23 1 6 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
14 24 1 1 0 0 0
15 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
26 29 1 0 0 0 0
26 28 2 0 0 0 0
S SKP 7
ID BMMCIZ--S533
NAME [(2R,3S,4R,5R) -5- [4-Carbamoyl-5- [ [(3R,4R) -3,4-dihydroxy-2-oxo-5-phosphonooxypentyl] Iminomethylamino] imidazol-1-yl] -3,4-dihydroxyoxolan-2-yl] methyl dihydrogen phosphate
CAS_RN 36244-86-7
FORMULA C15H25N5O15P2
EXACTMASS 577.0822381749999
AVERAGEMASS 577.331222
SMILES O=C(CNC=Nc(c(C(N)=O)2)n(cn2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1)[C@@H](O)[C@@H](O)COP(O)(O)=O
M END
