Mol:BMMCPYURS601
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
68 70 0 0 1 0 0 0 0 0999 V2000
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10.9953 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9899 1.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3966 2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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13.7979 3.9056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7924 4.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.1991 4.9237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.1936 5.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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7.6050 0.6423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6215 0.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0282 1.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4404 2.0513 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.8472 2.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2594 3.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6661 4.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0783 5.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4851 6.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8973 7.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3040 8.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7162 8.9416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1230 9.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5352 10.6641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9419 11.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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11.6843 -9.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.6704 -4.8154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4613 -2.8263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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66 68 2 0 0 0 0
S SKP 7
ID BMMCPYURS601
NAME UDP-2,3-bis(3-hydroxy-tetradecanoyl)-glucosamine
FORMULA C43H77N3O20P2
EXACTMASS 1017.4575
AVERAGEMASS 1018.0272
SMILES O=C(CC(CCCCCCCCCCC)O)O[C@@H]([C@@H]1O)[C@H](C(OP(O)(=O)OP(OC[C@H]([C@@H](O)2)O[C@@H](N(C=3)C(=O)NC(C3)=O)[C@@H]2O)(O)=O)O[C@H](CO)1)NC(=O)CC(O)CCCCCCCCCCC
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04652
M END
