Term: | Pacifibactin |
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Accession: | CHEBI:223265
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Synonyms: | exact_synonym: | (2S,3S)-4-[[(2R)-1-[[(2R,3R)-1-[[(2S)-1-[[(2S)-5-[acetyl(hydroxy)amino]-1-[[(3R)-1-hydroxy-2-oxopiperidin-3-yl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-carboxy-3-hydroxy-1-oxopropan-2-yl]amino]-6-(diaminomethylideneamino)-1-oxohexan-2-yl]amino]-3-[(4-amino-3-hydroxypentanoyl)amino]-2-hydroxy-4-oxobutanoic acid |
| related_synonym: | Formula=C35H60N12O18; InChI=1S/C35H60N12O18/c1-15(36)21(50)13-22(51)44-23(25(52)33(60)61)30(57)41-17(7-3-4-10-39-35(37)38)28(55)45-24(26(53)34(62)63)31(58)43-20(14-48)29(56)40-18(8-5-11-46(64)16(2)49)27(54)42-19-9-6-12-47(65)32(19)59/h15,17-21,23-26,48,50,52-53,64-65H,3-14,36H2,1-2H3,(H,40,56)(H,41,57)(H,42,54)(H,43,58)(H,44,51)(H,45,55)(H,60,61)(H,62,63)(H4,37,38,39)/t15?,17-,18+,19-,20+,21?,23+,24-,25+,26-/m1/s1; InChIKey=DRKCOUTVBQFDMD-XRTXDQJLSA-N; SMILES=O=C1N(O)CCC[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CC(O)C(N)C)[C@H](O)C(=O)O)CCCCN=C(N)N)[C@@H](O)C(=O)O)CO)CCCN(O)C(=O)C |
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