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CHEBI:215996 - Shengjimycin B3
| Formula | C49H82N2O16 |
| Net Charge | 0 |
| Average Mass | 955.193 |
| Monoisotopic Mass | 954.56643 |
| SMILES | CCC(=O)OC1CC(=O)OC(C)C/C=C\C=C/C(OC2CCC(N(C)C)C(C)O2)C(C)CC(CC=O)C(OC2OC(C)C(OC3CC(C)(O)C(OC(=O)CC)C(C)O3)C(N(C)C)C2O)C1OC |
| InChI | InChI=1S/C49H82N2O16/c1-14-37(53)63-36-26-39(55)59-29(4)19-17-16-18-20-35(64-40-22-21-34(50(9)10)30(5)60-40)28(3)25-33(23-24-52)45(46(36)58-13)67-48-43(56)42(51(11)12)44(31(6)62-48)66-41-27-49(8,57)47(32(7)61-41)65-38(54)15-2/h16-18,20,24,28-36,40-48,56-57H,14-15,19,21-23,25-27H2,1-13H3/b17-16-,20-18- |
| InChIKey | NGDGWCBJRIMBLF-OTMJARGSSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces (ncbitaxon:1883) | - | DOI (10.3209/saj.13_120) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Shengjimycin B3 (CHEBI:215996) is a aminoglycoside (CHEBI:47779) |
| IUPAC Name |
|---|
| [(11Z,13Z)-6-[4-(dimethylamino)-3-hydroxy-5-(4-hydroxy-4,6-dimethyl-5-propanoyloxyoxan-2-yl)oxy-6-methyloxan-2-yl]oxy-10-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] propanoate |
| Manual Xrefs | Databases |
|---|---|
| 78444177 | ChemSpider |