EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:65915 - FR901464
| Formula | C27H41NO8 |
| Net Charge | 0 |
| Average Mass | 507.624 |
| Monoisotopic Mass | 507.28322 |
| SMILES | CC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/[C@H]2O[C@](C)(O)C[C@@]3(CO3)[C@@H]2O)O[C@@H]1C |
| InChI | InChI=1S/C27H41NO8/c1-16(8-11-23-25(31)27(15-33-27)14-26(6,32)36-23)7-10-22-17(2)13-21(19(4)35-22)28-24(30)12-9-18(3)34-20(5)29/h7-9,11-12,17-19,21-23,25,31-32H,10,13-15H2,1-6H3,(H,28,30)/b11-8+,12-9-,16-7+/t17-,18-,19+,21+,22-,23+,25+,26-,27+/m0/s1 |
| InChIKey | PJKVJJDQXZARCA-QHYZBLTGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Pseudomonas sp. 2663 (ncbitaxon:764483) | - | PubMed (9031664) | Strain: 2663 |
| Roles Classification |
|---|
| Biological Roles: | antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| FR901464 (CHEBI:65915) has role antimicrobial agent (CHEBI:33281) |
| FR901464 (CHEBI:65915) has role antineoplastic agent (CHEBI:35610) |
| FR901464 (CHEBI:65915) has role bacterial metabolite (CHEBI:76969) |
| FR901464 (CHEBI:65915) is a acetate ester (CHEBI:47622) |
| FR901464 (CHEBI:65915) is a cyclic hemiketal (CHEBI:59780) |
| FR901464 (CHEBI:65915) is a monocarboxylic acid amide (CHEBI:29347) |
| FR901464 (CHEBI:65915) is a pyrans (CHEBI:26407) |
| FR901464 (CHEBI:65915) is a spiro-epoxide (CHEBI:133131) |
| IUPAC Name |
|---|
| (2S,3Z)-5-{[(2R,3R,5S,6S)-6-{(2E,4E)-5-[(3R,4R,5R,7S)-4,7-dihydroxy-7-methyl-1,6-dioxaspiro[2.5]oct-5-yl]-3-methylpenta-2,4-dien-1-yl}-2,5-dimethyltetrahydro-2H-pyran-3-yl]amino}-5-oxopent-3-en-2-yl acetate |
| Manual Xrefs | Databases |
|---|---|
| US2011086909 | Patent |
| WO2009031999 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:8176008 | Reaxys |
| CAS:146478-72-0 | ChemIDplus |
| Citations |
|---|