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CHEBI:222188 - Paulomycin E
| Formula | C29H36N2O16S |
| Net Charge | 0 |
| Average Mass | 700.672 |
| Monoisotopic Mass | 700.17855 |
| SMILES | C/C=C(\N=C=S)C(=O)O[C@@H]1[C@@H](O[C@H]2C[C@@H](OC)[C@](O)(C(C)=O)[C@@H](C)O2)[C@H](O)[C@@H]([C@]2(O)CC(=O)C(=N)C(C(=O)O)=C2O)O[C@H]1COC(C)=O |
| InChI | InChI=1S/C29H36N2O16S/c1-6-14(31-10-48)27(39)47-22-16(9-43-13(4)33)45-25(28(40)8-15(34)20(30)19(24(28)36)26(37)38)21(35)23(22)46-18-7-17(42-5)29(41,11(2)32)12(3)44-18/h6,12,16-18,21-23,25,30,35-36,40-41H,7-9H2,1-5H3,(H,37,38)/b14-6-,30-20?/t12-,16+,17-,18+,21+,22+,23+,25+,28+,29+/m1/s1 |
| InChIKey | YASNRWMRDSCJIV-STSZLFIVSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces (ncbitaxon:1883) | - | PubMed (3356604) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Paulomycin E (CHEBI:222188) is a glycoside (CHEBI:24400) |
| IUPAC Name |
|---|
| (3R)-3-[(2S,3S,4S,5S,6S)-4-[(2R,4R,5S,6R)-5-acetyl-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-(acetyloxymethyl)-3-hydroxy-5-[(Z)-2-isothiocyanatobut-2-enoyl]oxyoxan-2-yl]-2,3-dihydroxy-6-imino-5-oxocyclohexene-1-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 78442986 | ChemSpider |