Mol:BMCCPTPTe016
From Metabolomics.JP
(Difference between revisions)
| Line 58: | Line 58: | ||
S SKP 7 | S SKP 7 | ||
ID BMCCPTPTe016 | ID BMCCPTPTe016 | ||
| − | NAME | + | NAME [(2R,3S) -3- (2-Amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl) -2,3-dihydroxypropyl] dihydrogen phosphate |
| + | CAS_RN 19622-43-6 | ||
FORMULA C9H15N5O10P2 | FORMULA C9H15N5O10P2 | ||
EXACTMASS 415.0294 | EXACTMASS 415.0294 | ||
Latest revision as of 18:04, 11 June 2010
Copyright: ARM project http://www.metabolome.jp/
26 27 0 0 1 0 0 0 0 0999 V2000
3.7321 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.0622 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.9282 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -0.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
10.1603 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.1603 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 -0.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
12.8923 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.8923 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.2583 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 3 1 0 0 0 0
6 12 1 0 0 0 0
3 2 1 0 0 0 0
12 16 1 1 0 0 0
2 1 2 0 0 0 0
12 13 1 0 0 0 0
1 9 1 0 0 0 0
13 14 1 0 0 0 0
10 9 2 0 0 0 0
13 17 1 6 0 0 0
9 8 1 0 0 0 0
14 18 1 0 0 0 0
8 7 1 0 0 0 0
18 19 1 0 0 0 0
7 6 1 0 0 0 0
19 22 1 0 0 0 0
6 5 2 0 0 0 0
22 23 1 0 0 0 0
5 10 1 0 0 0 0
23 25 1 0 0 0 0
23 24 1 0 0 0 0
2 11 1 0 0 0 0
19 20 1 0 0 0 0
10 4 1 0 0 0 0
19 21 2 0 0 0 0
4 15 2 0 0 0 0
23 26 2 0 0 0 0
S SKP 7
ID BMCCPTPTe016
NAME [(2R,3S) -3- (2-Amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl) -2,3-dihydroxypropyl] dihydrogen phosphate
CAS_RN 19622-43-6
FORMULA C9H15N5O10P2
EXACTMASS 415.0294
AVERAGEMASS 415.1906
SMILES NC(N1)=NC(N2)=C(N=C(C2)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(O)=O)C(=O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05925
M END
