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| Formula | C17H23N5O14 |
| Net Charge | 0 |
| Average Mass | 521.392 |
| Monoisotopic Mass | 521.12415 |
| SMILES | [H][C@]1([C@H](NC(=O)[C@@H](N)[C@H](O)[C@@H](O)COC(N)=O)C(=O)O)O[C@@H](n2cc(C(=O)O)c(=O)nc2=O)[C@H](O)[C@@H]1O |
| InChI | InChI=1S/C17H23N5O14/c18-5(7(24)4(23)2-35-16(19)33)12(28)20-6(15(31)32)10-8(25)9(26)13(36-10)22-1-3(14(29)30)11(27)21-17(22)34/h1,4-10,13,23-26H,2,18H2,(H2,19,33)(H,20,28)(H,29,30)(H,31,32)(H,21,27,34)/t4-,5-,6-,7+,8-,9+,10+,13+/m0/s1 |
| InChIKey | JPFWJDMDPLEUBD-ITJAGOAWSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces cacaoi var. asoensis (ncbitaxon:249586) | - | PubMed (Citation: Isono, K., Nagatsu, J., Kawashima, Y., and Suzuki, S. "Studies on polyoxins, antifungal antibiotics. Part I. Isolation and characterization of polyoxins A and B." Agric. Biol. Chem. (1965) 29:848-854. (No PubMed record available.)) |
| Roles Classification |
|---|
| Biological Roles: | EC 2.4.1.16 (chitin synthase) inhibitor A EC 2.4.1.* (hexosyltransferase) inhibitor that inhibits the action of chitin synthase (EC 2.4.1.16). antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties. EC 2.4.1.16 (chitin synthase) inhibitor A EC 2.4.1.* (hexosyltransferase) inhibitor that inhibits the action of chitin synthase (EC 2.4.1.16). bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. fungicide A substance used to destroy fungal pests. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. |
| Applications: | antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties. fungicide A substance used to destroy fungal pests. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| polyoxorim (CHEBI:78777) has role antifungal agrochemical (CHEBI:86328) |
| polyoxorim (CHEBI:78777) has role EC 2.4.1.16 (chitin synthase) inhibitor (CHEBI:59672) |
| polyoxorim (CHEBI:78777) is a antibiotic fungicide (CHEBI:87114) |
| polyoxorim (CHEBI:78777) is a polyoxin (CHEBI:26194) |
| IUPAC Name |
|---|
| 1-{(2R,3R,4S,5R)-5-[(S)-{[(2S,3S,4S)-2-amino-5-(carbamoyloxy)-3,4-dihydroxypentanoyl]amino}(carboxy)methyl]-3,4-dihydroxytetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid |
| Synonyms | Source |
|---|---|
| Polyoxin Z | ChemIDplus |
| Polyoxin D | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| polyoxorim | Alan Wood's Pesticides |
| 2064 | BPDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:969003 | Reaxys |
| CAS:22976-86-9 | ChemIDplus |
| Citations |
|---|