Mol:BMAXDP--0013
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 14 13 0 0 1 0 0 0 0 0999 V2000 | + | 14 13 0 0 1 0 0 0 0 0999 V2000 |
− | 2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7321 1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5981 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7320 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7320 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5981 -1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.5981 -1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7320 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7320 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4641 -2.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -2.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8660 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4641 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
− | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
− | 3 5 1 0 0 0 0 | + | 3 5 1 0 0 0 0 |
− | 2 6 1 1 0 0 0 | + | 2 6 1 1 0 0 0 |
− | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
− | 1 13 1 0 0 0 0 | + | 1 13 1 0 0 0 0 |
− | 1 12 2 0 0 0 0 | + | 1 12 2 0 0 0 0 |
− | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 7 14 2 0 0 0 0 | + | 7 14 2 0 0 0 0 |
− | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
− | 8 10 1 6 0 0 0 | + | 8 10 1 6 0 0 0 |
− | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
− | S SKP 6 | + | S SKP 6 |
− | ID BMAXDP--0013 | + | ID BMAXDP--0013 |
− | NAME L-Cysteinyl-D-valine | + | NAME L-Cysteinyl-D-valine |
− | FORMULA C8H16N2O3S | + | FORMULA C8H16N2O3S |
− | EXACTMASS 220.0881 | + | EXACTMASS 220.0881 |
− | AVERAGEMASS 220.2903 | + | AVERAGEMASS 220.2903 |
− | SMILES CC(C)[C@H](C(O)=O)NC(=O)[C@@H](N)CS | + | SMILES CC(C)[C@H](C(O)=O)NC(=O)[C@@H](N)CS |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 14 13 0 0 1 0 0 0 0 0999 V2000 2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 3 1 0 0 0 0 3 2 1 0 0 0 0 3 5 1 0 0 0 0 2 6 1 1 0 0 0 2 1 1 0 0 0 0 1 13 1 0 0 0 0 1 12 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 14 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 6 0 0 0 9 11 1 0 0 0 0 S SKP 6 ID BMAXDP--0013 NAME L-Cysteinyl-D-valine FORMULA C8H16N2O3S EXACTMASS 220.0881 AVERAGEMASS 220.2903 SMILES CC(C)[C@H](C(O)=O)NC(=O)[C@@H](N)CS M END