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CHEBI:65916 - FR901465
| Formula | C27H41NO9 |
| Net Charge | 0 |
| Average Mass | 523.623 |
| Monoisotopic Mass | 523.27813 |
| 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@H](O)[C@@]3(CO3)[C@@H]2O)O[C@@H]1C |
| InChI | InChI=1S/C27H41NO9/c1-15(8-11-22-24(31)27(14-34-27)25(32)26(6,33)37-22)7-10-21-16(2)13-20(18(4)36-21)28-23(30)12-9-17(3)35-19(5)29/h7-9,11-12,16-18,20-22,24-25,31-33H,10,13-14H2,1-6H3,(H,28,30)/b11-8+,12-9-,15-7+/t16-,17-,18+,20+,21-,22+,24+,25-,26-,27+/m0/s1 |
| InChIKey | DQTXAXNYLWRTPB-NTVXLVODSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Pseudomonas sp. 2663 (ncbitaxon:764483) | - | PubMed (9031664) | Strain: 2663 |
| Roles Classification |
|---|
| Biological Role: | 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) |
| FR901465 (CHEBI:65916) has role antineoplastic agent (CHEBI:35610) |
| FR901465 (CHEBI:65916) has role bacterial metabolite (CHEBI:76969) |
| FR901465 (CHEBI:65916) is a acetate ester (CHEBI:47622) |
| FR901465 (CHEBI:65916) is a cyclic hemiketal (CHEBI:59780) |
| FR901465 (CHEBI:65916) is a monocarboxylic acid amide (CHEBI:29347) |
| FR901465 (CHEBI:65916) is a pyrans (CHEBI:26407) |
| FR901465 (CHEBI:65916) is a secondary alcohol (CHEBI:35681) |
| FR901465 (CHEBI:65916) is a spiro-epoxide (CHEBI:133131) |
| IUPAC Name |
|---|
| (2S,3Z)-5-{[(2R,3R,5S,6S)-2,5-dimethyl-6-{(2E,4E)-3-methyl-5-[(3R,4R,5R,7S,8R)-4,7,8-trihydroxy-7-methyl-1,6-dioxaspiro[2.5]oct-5-yl]penta-2,4-dien-1-yl}tetrahydro-2H-pyran-3-yl]amino}-5-oxopent-3-en-2-yl acetate |
| Registry Numbers | Sources |
|---|---|
| Reaxys:8176532 | Reaxys |
| CAS:146478-73-1 | ChemIDplus |
| Citations |
|---|