Mol:BMAXS6AMt004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 26 0 0 1 0 0 0 0 0999 V2000 2.8660 5.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 4.5633 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7321 3.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.0633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3712 -6.0633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1802 -5.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8712 -4.5245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.9367 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2532 -4.5245 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5622 -5.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5622 -5.4755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8712 -4.5245 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 -2.9367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.9367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.5633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 6.0633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1313 -5.7845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18 19 1 0 0 0 0 16 11 1 1 0 0 0 19 20 1 0 0 0 0 11 10 1 0 0 0 0 20 21 1 0 0 0 0 10 9 1 0 0 0 0 21 24 2 0 0 0 0 21 8 1 0 0 0 0 15 14 1 1 0 0 0 8 6 1 0 0 0 0 14 13 1 0 0 0 0 6 5 1 0 0 0 0 12 13 1 0 0 0 0 5 4 1 0 0 0 0 12 16 1 0 0 0 0 4 3 1 0 0 0 0 10 25 2 0 0 0 0 3 2 1 0 0 0 0 12 17 1 1 0 0 0 2 1 1 0 0 0 0 15 16 1 0 0 0 0 2 7 1 1 0 0 0 17 18 1 0 0 0 0 1 22 1 0 0 0 0 15 9 1 0 0 0 0 1 23 2 0 0 0 0 S SKP 7 ID BMAXS6AMt004 NAME (2S) -2-Amino-6- [5- [(6S) -2-oxo-1,3,3a,4,6,6a-hexahydrothieno [3,4-d] imidazol-6-yl] pentanoylamino] hexanoic acid CAS_RN 576-19-2 FORMULA C16H28N4O4S EXACTMASS 372.1831 AVERAGEMASS 372.484 SMILES OC(=O)[C@@H](N)CCCCNC(=O)CCCC[C@H](S1)[C@@H](N2)[C@@H](NC(=O)2)C1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05552 M END