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CHEBI:184800 - Fumonisin A1
| Formula | C36H61NO16 |
| Net Charge | 0 |
| Average Mass | 763.875 |
| Monoisotopic Mass | 763.39903 |
| SMILES | CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@H](O)C[C@@H](O)[C@@H](C)NC(C)=O)OC(=O)C[C@@H](CC(=O)O)C(=O)O |
| InChI | InChI=1S/C36H61NO16/c1-6-7-10-21(3)34(53-33(47)18-25(36(50)51)16-31(44)45)29(52-32(46)17-24(35(48)49)15-30(42)43)14-20(2)13-26(39)11-8-9-12-27(40)19-28(41)22(4)37-23(5)38/h20-22,24-29,34,39-41H,6-19H2,1-5H3,(H,37,38)(H,42,43)(H,44,45)(H,48,49)(H,50,51)/t20-,21+,22+,24+,25+,26+,27-,28+,29-,34+/m0/s1 |
| InChIKey | ADACAMXIRQREOB-XUJMDKETSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | feces (BTO:0000440) | MetaboLights (MTBLS3750) | Strain: C57BL/6 Mouse [NCIT:C14424] |
| Fusarium verticillioides (ncbitaxon:117187) | - | DOI (10.1039/c39880000743) |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | mycotoxin Poisonous substance produced by fungi. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Fumonisin A1 (CHEBI:184800) is a fumonisin (CHEBI:38224) |
| IUPAC Names |
|---|
| (2R)-2-[2-[(5R,6R,7S,9S,11R,16S,18R,19R)-19-acetamido-6-[(3R)-3,4-dicarboxybutanoyl]oxy-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid |
| 2-[2-[(5R,6R,7S,9S,11R,16R,18S,19S)-19-acetamido-6-(3,4-dicarboxybutanoyloxy)-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid |
| Registry Numbers | Sources |
|---|---|
| CAS:117415-48-2 | ChemIDplus |