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CHEBI:67758 - (−)-duryne E
| Formula | C36H58O2 |
| Net Charge | 0 |
| Average Mass | 522.858 |
| Monoisotopic Mass | 522.44368 |
| SMILES | C#C[C@H](O)/C=C/CCCCCCCCC/C=C\CCCC/C=C\CCCCCCCCC/C=C/[C@@H](O)C#C |
| InChI | InChI=1S/C36H58O2/c1-3-35(37)33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36(38)4-2/h1-2,9-12,31-38H,5-8,13-30H2/b11-9-,12-10-,33-31+,34-32+/t35-,36-/m0/s1 |
| InChIKey | XAIZWFVGVMCODQ-IJQLRHIVSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Petrosia (ncbitaxon:68563) | - | PubMed (21534590) | Frozen sponge was homogenized and extracted with EtOH and MeOH/CHCl3 (1:1) |
| Roles Classification |
|---|
| Biological Roles: | marine metabolite Any metabolite produced during a metabolic reaction in marine macro- and microorganisms. animal metabolite Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (−)-duryne E (CHEBI:67758) has role animal metabolite (CHEBI:75767) |
| (−)-duryne E (CHEBI:67758) has role antineoplastic agent (CHEBI:35610) |
| (−)-duryne E (CHEBI:67758) has role marine metabolite (CHEBI:76507) |
| (−)-duryne E (CHEBI:67758) is a diol (CHEBI:23824) |
| (−)-duryne E (CHEBI:67758) is a enyne (CHEBI:59831) |
| (−)-duryne E (CHEBI:67758) is a secondary alcohol (CHEBI:35681) |
| (−)-duryne E (CHEBI:67758) is a terminal acetylenic compound (CHEBI:73477) |
| IUPAC Name |
|---|
| (3R,4E,15Z,21Z,32E,34R)-hexatriaconta-4,15,21,32-tetraene-1,35-diyne-3,34-diol |
| Registry Numbers | Sources |
|---|---|
| Reaxys:21556542 | Reaxys |
| Citations |
|---|