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CHEBI:216237 - Grisemycin
| Formula | C22H28O7S |
| Net Charge | 0 |
| Average Mass | 436.526 |
| Monoisotopic Mass | 436.15557 |
| SMILES | COc1cccc2c1[C@H]1O[C@@]34C[C@@H]([S@@](C)=O)[C@@]1(O)[C@@H]1[C@H]2O[C@](OC)(C[C@](C)(O)C3)[C@@H]14 |
| InChI | InChI=1S/C22H28O7S/c1-19(23)9-20-8-13(30(4)25)22(24)15-16(28-21(10-19,27-3)17(15)20)11-6-5-7-12(26-2)14(11)18(22)29-20/h5-7,13,15-18,23-24H,8-10H2,1-4H3/t13-,15-,16+,17+,18-,19-,20+,21-,22?,30-/m1/s1 |
| InChIKey | BNAIJPXWXSOOHM-ZNNAHRDPSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces (ncbitaxon:1883) | |||
| - | PubMed (26958869) | ||
| - | PubMed (21421760) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Grisemycin (CHEBI:216237) is a organic heterotricyclic compound (CHEBI:26979) |
| Grisemycin (CHEBI:216237) is a organooxygen compound (CHEBI:36963) |
| IUPAC Names |
|---|
| (1R,3R,5R,6S,7S,8R,15R,16R,17R)-5,13-dimethoxy-3-methyl-17-[(S)-methylsulinyl]-19,20-dioxahexacyclo[13.3.1.15,8.01,6.07,16.09,14]icosa-9(14),10,12-triene-3,16-diol |
| N-[1-[[1-[[(3R)-1-[[5-amino-1-[[2-[[3-hydroxy-1-[[(E)-1-[[(3R)-3-methyl-1-[[(2Z)-9-(2-methylpropyl)-5,8,11-trioxo-6-propan-2-yl-1-thia-4,7,10-triazacyclotridec-2-en-12-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobut-2-en-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[2-[[2-[2-[[1-[(Z)-2-[2-(dimethylamino)propanoylamino]but-2-enoyl]pyrrolidine-2-carbonyl]amino]propanoylamino]-3-methylbutanoyl]amino]propanoylamino]pentanediamide |
| Manual Xrefs | Databases |
|---|---|
| 78439299 | ChemSpider |