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CHEBI:198796 - Bacilosarcin B
| Formula | C24H35N3O8 |
| Net Charge | 0 |
| Average Mass | 493.557 |
| Monoisotopic Mass | 493.24242 |
| SMILES | CC(C)C[C@H](NC(=O)[C@@H](O)[C@H]1O[C@](C)(O)[C@H](C)N[C@H]1CC(N)=O)[C@@H]1Cc2cccc(O)c2C(=O)O1 |
| InChI | InChI=1S/C24H35N3O8/c1-11(2)8-14(17-9-13-6-5-7-16(28)19(13)23(32)34-17)27-22(31)20(30)21-15(10-18(25)29)26-12(3)24(4,33)35-21/h5-7,11-12,14-15,17,20-21,26,28,30,33H,8-10H2,1-4H3,(H2,25,29)(H,27,31)/t12-,14-,15-,17-,20-,21-,24-/m0/s1 |
| InChIKey | RLVCRTWJOZGNEF-SHJDBJNPSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Bacillus (ncbitaxon:1386) | - | DOI (10.1016/j.tet.2008.04.076) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Bacilosarcin B (CHEBI:198796) has functional parent β-amino acid (CHEBI:33706) |
| Bacilosarcin B (CHEBI:198796) is a organonitrogen compound (CHEBI:35352) |
| Bacilosarcin B (CHEBI:198796) is a organooxygen compound (CHEBI:36963) |
| IUPAC Name |
|---|
| (2S)-2-[(2S,3S,5S,6S)-3-(2-amino-2-oxoethyl)-6-hydroxy-5,6-dimethylmorpholin-2-yl]-2-hydroxy-N-[(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl]-3-methylbutyl]acetamide |
| Manual Xrefs | Databases |
|---|---|
| 27023653 | ChemSpider |