EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:222591 - Glycocinnasperimicin D
| Formula | C30H50N10O9 |
| Net Charge | 0 |
| Average Mass | 694.791 |
| Monoisotopic Mass | 694.37622 |
| SMILES | CC1OC(Oc2ccc(/C=C/C(=O)NCCCNCCCCN)cc2)C(N=C(N)N)C(O)C1NC(=O)NC1OCC(O)C(O)C1NC(N)=O |
| InChI | InChI=1S/C30H50N10O9/c1-16-21(39-30(46)40-26-22(38-29(34)45)24(43)19(41)15-47-26)25(44)23(37-28(32)33)27(48-16)49-18-8-5-17(6-9-18)7-10-20(42)36-14-4-13-35-12-3-2-11-31/h5-10,16,19,21-27,35,41,43-44H,2-4,11-15,31H2,1H3,(H,36,42)(H4,32,33,37)(H3,34,38,45)(H2,39,40,46)/b10-7+ |
| InChIKey | RUNVIIGXALSBTN-JXMROGBWSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Nocardia (ncbitaxon:1817) | - | PubMed (4066501) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Glycocinnasperimicin D (CHEBI:222591) is a cinnamamides (CHEBI:23247) |
| IUPAC Name |
|---|
| (E)-N-[3-(4-aminobutylamino)propyl]-3-[4-[5-[[3-(carbamoylamino)-4,5-dihydroxyoxan-2-yl]carbamoylamino]-3-(diaminomethylideneamino)-4-hydroxy-6-methyloxan-2-yl]oxyphenyl]prop-2-enamide |
| Manual Xrefs | Databases |
|---|---|
| 4943276 | ChemSpider |