EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C32H60N12O10 |
| Net Charge | 0 |
| Average Mass | 772.906 |
| Monoisotopic Mass | 772.45554 |
| SMILES | CN1C[C@@H](O)[C@H]2NC(NC3OC(CO)C(OC(N)=O)C(O)C3NC(=O)CC(N)CCCNC(=O)CC(N)CCCNC(=O)CC(N)CCCN)=N[C@@H]2C1=O |
| InChI | InChI=1S/C32H60N12O10/c1-44-14-19(46)24-25(30(44)51)42-32(41-24)43-29-26(27(50)28(54-31(37)52)20(15-45)53-29)40-23(49)13-18(36)7-4-10-39-22(48)12-17(35)6-3-9-38-21(47)11-16(34)5-2-8-33/h16-20,24-29,45-46,50H,2-15,33-36H2,1H3,(H2,37,52)(H,38,47)(H,39,48)(H,40,49)(H2,41,42,43)/t16?,17?,18?,19-,20?,24-,25+,26?,27?,28?,29?/m1/s1 |
| InChIKey | SMGKDTRGGAAALL-OHOJOCITSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces (ncbitaxon:1883) | - | DOI (10.1007/bf02976852) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-methyl-streptothricin D (CHEBI:197786) is a N-glycosyl compound (CHEBI:21731) |
| IUPAC Name |
|---|
| [6-[[(3aS,7R,7aS)-7-hydroxy-5-methyl-4-oxo-3a,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl]amino]-5-[[3-amino-6-[[3-amino-6-(3,6-diaminohexanoylamino)hexanoyl]amino]hexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate |
| Manual Xrefs | Databases |
|---|---|
| 78443782 | ChemSpider |