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CHEBI:67357 - dolastatin 10
| Formula | C42H68N6O6S |
| Net Charge | 0 |
| Average Mass | 785.109 |
| Monoisotopic Mass | 784.49210 |
| SMILES | [H][C@]([C@@H](C)CC)([C@@H](CC(=O)N1CCC[C@@]1([H])[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)c1nccs1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C |
| InChI | InChI=1S/C42H68N6O6S/c1-13-28(6)37(47(10)42(52)35(26(2)3)45-40(51)36(27(4)5)46(8)9)33(53-11)25-34(49)48-22-17-20-32(48)38(54-12)29(7)39(50)44-31(41-43-21-23-55-41)24-30-18-15-14-16-19-30/h14-16,18-19,21,23,26-29,31-33,35-38H,13,17,20,22,24-25H2,1-12H3,(H,44,50)(H,45,51)/t28-,29+,31-,32-,33+,35-,36-,37-,38+/m0/s1 |
| InChIKey | OFDNQWIFNXBECV-VFSYNPLYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Dolabella auricularia (ncbitaxon:6511) | - | PubMed (21534541) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. marine metabolite Any metabolite produced during a metabolic reaction in marine macro- and microorganisms. microtubule-destabilising agent Any substance that interacts with tubulin to inhibit polymerisation of microtubules. 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) |
| dolastatin 10 (CHEBI:67357) has functional parent L-valine (CHEBI:16414) |
| dolastatin 10 (CHEBI:67357) has role animal metabolite (CHEBI:75767) |
| dolastatin 10 (CHEBI:67357) has role antineoplastic agent (CHEBI:35610) |
| dolastatin 10 (CHEBI:67357) has role apoptosis inducer (CHEBI:68495) |
| dolastatin 10 (CHEBI:67357) has role marine metabolite (CHEBI:76507) |
| dolastatin 10 (CHEBI:67357) has role microtubule-destabilising agent (CHEBI:61951) |
| dolastatin 10 (CHEBI:67357) is a 1,3-thiazoles (CHEBI:38418) |
| dolastatin 10 (CHEBI:67357) is a tetrapeptide (CHEBI:48030) |
| IUPAC Name |
|---|
| N,N-dimethyl-L-valyl-N-[(3R,4S,5S)-3-methoxy-1-{(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-{[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]pyrrolidin-1-yl}-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide |
| Synonyms | Source |
|---|---|
| dolastatin-10 | ChemIDplus |
| DLS-10 | ChEBI |
| Citations |
|---|