Mol:BMMCIZ--S533
From Metabolomics.JP
(Difference between revisions)
(New page: 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 ...) |
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Line 78: | Line 78: | ||
26 29 1 0 0 0 0 | 26 29 1 0 0 0 0 | ||
26 28 2 0 0 0 0 | 26 28 2 0 0 0 0 | ||
− | S SKP | + | S SKP 7 |
− | + | ||
ID BMMCIZ--S533 | 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 | FORMULA C15H25N5O15P2 | ||
EXACTMASS 577.0822381749999 | EXACTMASS 577.0822381749999 | ||
AVERAGEMASS 577.331222 | 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 | ||
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 | 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 | M END |
Revision as of 17:57, 17 June 2010
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 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