Mol:BMCCPTFOk017
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 50 52 0 0 1 0 0 0 0 0999 V2000 | + | 50 52 0 0 1 0 0 0 0 0999 V2000 |
− | 6.3301 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4641 -3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 5.4641 -3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 4.5981 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5981 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7321 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4641 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 3.7321 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
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− | 4.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 6.3301 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.3301 4.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.3301 4.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 5.4641 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.1962 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 15.8564 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 15.8564 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 16.7224 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 16.7224 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 16.7224 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 16.7224 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 15.8564 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 15.8564 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 14.1244 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.1244 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 13.2583 2.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 13.2583 2.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 13.2583 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.2583 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 14.1244 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.1244 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 12.3923 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.3923 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 11.5263 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5263 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 14.9904 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.9904 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 14.9904 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.9904 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 17.5885 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 17.5885 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 10.6603 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6603 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.7942 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.9282 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.9282 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.7942 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 10.6603 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6603 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.1962 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.3301 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7321 -6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8660 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7321 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8660 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7321 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.1962 6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4641 6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.0622 5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 15.8564 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 15.8564 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 5 41 2 0 0 0 0 | + | 5 41 2 0 0 0 0 |
− | 5 40 1 0 0 0 0 | + | 5 40 1 0 0 0 0 |
− | S SKP 7 | + | S SKP 7 |
− | ID BMCCPTFOk017 | + | ID BMCCPTFOk017 |
− | NAME Tetrahydro-pteroyl-tri-L-glutamic acid | + | NAME Tetrahydro-pteroyl-tri-L-glutamic acid |
− | FORMULA C29H37N9O12 | + | FORMULA C29H37N9O12 |
− | EXACTMASS 703.2561 | + | EXACTMASS 703.2561 |
− | AVERAGEMASS 703.6575 | + | AVERAGEMASS 703.6575 |
− | SMILES O=C(N[C@H](C(O)=O)CCC(N[C@H](C(O)=O)CCC(O)=O)=O)CC[C@H](NC(c(c3)ccc(c3)NCC(N1)CNc(n2)c(c(O)nc2N)1)=O)C(O)=O | + | SMILES O=C(N[C@H](C(O)=O)CCC(N[C@H](C(O)=O)CCC(O)=O)=O)CC[C@H](NC(c(c3)ccc(c3)NCC(N1)CNc(n2)c(c(O)nc2N)1)=O)C(O)=O |
− | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04144 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04144 |
M END | M END | ||
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Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 50 52 0 0 1 0 0 0 0 0999 V2000 6.3301 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 2.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.2583 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20 19 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 30 1 0 0 0 0 29 19 1 0 0 0 0 30 29 2 0 0 0 0 30 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 29 1 0 0 0 0 20 31 1 0 0 0 0 22 49 1 0 0 0 0 24 27 1 4 0 0 0 27 28 1 0 0 0 0 28 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 32 1 0 0 0 0 50 35 1 0 0 0 0 50 18 1 0 0 0 0 50 48 2 0 0 0 0 14 18 1 1 0 0 0 14 15 1 0 0 0 0 14 13 1 0 0 0 0 13 46 2 0 0 0 0 13 47 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 17 45 2 0 0 0 0 8 12 1 1 0 0 0 8 9 1 0 0 0 0 8 7 1 0 0 0 0 7 44 1 0 0 0 0 7 43 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 6 1 0 0 0 0 11 42 2 0 0 0 0 2 6 1 6 0 0 0 2 3 1 0 0 0 0 2 1 1 0 0 0 0 1 38 1 0 0 0 0 1 39 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 41 2 0 0 0 0 5 40 1 0 0 0 0 S SKP 7 ID BMCCPTFOk017 NAME Tetrahydro-pteroyl-tri-L-glutamic acid FORMULA C29H37N9O12 EXACTMASS 703.2561 AVERAGEMASS 703.6575 SMILES O=C(N[C@H](C(O)=O)CCC(N[C@H](C(O)=O)CCC(O)=O)=O)CC[C@H](NC(c(c3)ccc(c3)NCC(N1)CNc(n2)c(c(O)nc2N)1)=O)C(O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04144 M END