Mol:BMCCPTPTe005
From Metabolomics.JP
(Difference between revisions)
| Line 119: | Line 119: | ||
S SKP 7 | S SKP 7 | ||
ID BMCCPTPTe005 | ID BMCCPTPTe005 | ||
| − | NAME 5, | + | NAME (2S) -2- [ [(2R,3S,4R,5S) -5- [(2R,3S,4S) -5- [4- [(6S,6aR,7R) -3-Amino-6,7-dimethyl-1-oxo-5,6,6a,7-tetrahydro-4H-imidazo [1,5-f] pteridin-10-ium-8-yl] phenyl] -2,3,4-trihydroxypentoxy] -3,4-dihydroxyoxolan-2-yl] methoxy-hydroxyphosphoryl] oxypentanedioic acid |
| + | CAS_RN 155543-67-2 | ||
FORMULA C31H43N6O17P | FORMULA C31H43N6O17P | ||
EXACTMASS 802.2422 | EXACTMASS 802.2422 | ||
Latest revision as of 18:02, 11 June 2010
Copyright: ARM project http://www.metabolome.jp/
55 59 0 0 1 0 0 0 0 0999 V2000
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S SKP 7
ID BMCCPTPTe005
NAME (2S) -2- [ [(2R,3S,4R,5S) -5- [(2R,3S,4S) -5- [4- [(6S,6aR,7R) -3-Amino-6,7-dimethyl-1-oxo-5,6,6a,7-tetrahydro-4H-imidazo [1,5-f] pteridin-10-ium-8-yl] phenyl] -2,3,4-trihydroxypentoxy] -3,4-dihydroxyoxolan-2-yl] methoxy-hydroxyphosphoryl] oxypentanedioic acid
CAS_RN 155543-67-2
FORMULA C31H43N6O17P
EXACTMASS 802.2422
AVERAGEMASS 802.6771
SMILES CC(N(c(c5)ccc(c5)CC(C(O)C(O)C(O[C@H](O4)[C@H](O)[C@@H]([C@@H](COP(O)(=O)OC(CCC(O)=O)C(O)=O)4)O)O)O)3)C([N+1]1=[C+1]3)C(NC(N=2)=C(C(=O)NC2N)1)C
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04330
M END
