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CHEBI:133953 - carlosic acid
| Formula | C10H12O6 |
| Net Charge | 0 |
| Average Mass | 228.200 |
| Monoisotopic Mass | 228.06339 |
| SMILES | CCCC(=O)C1=C(O)[C@H](CC(=O)O)OC1=O |
| InChI | InChI=1S/C10H12O6/c1-2-3-5(11)8-9(14)6(4-7(12)13)16-10(8)15/h6,14H,2-4H2,1H3,(H,12,13)/t6-/m0/s1 |
| InChIKey | FTXHMBAGOBNRPN-LURJTMIESA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus niger ATCC 1015 (ncbitaxon:380704) | - | PubMed (25044953) | |
| Penicillium charlesii (ncbitaxon:69767) | - | PubMed (13867384) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | Penicillium metabolite Any fungal metabolite produced during a metabolic reaction in Penicillium. Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus . |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| carlosic acid (CHEBI:133953) has role Aspergillus metabolite (CHEBI:76956) |
| carlosic acid (CHEBI:133953) has role Penicillium metabolite (CHEBI:76964) |
| carlosic acid (CHEBI:133953) is a butenolide (CHEBI:50523) |
| carlosic acid (CHEBI:133953) is a carboxylic acid (CHEBI:33575) |
| carlosic acid (CHEBI:133953) is a enol (CHEBI:33823) |
| carlosic acid (CHEBI:133953) is a ketone (CHEBI:17087) |
| carlosic acid (CHEBI:133953) is a tetronic acid derivative (CHEBI:63455) |
| Incoming Relation(s) |
| carlosic acid methyl ester (CHEBI:133954) has functional parent carlosic acid (CHEBI:133953) |
| IUPAC Names |
|---|
| [(2S)-4-butyryl-3-hydroxy-5-oxo-2,5-dihydrofuran-2-yl]acetic acid |
| [(2S)-4-butanoyl-3-hydroxy-5-oxo-2,5-dihydrofuran-2-yl]acetic acid |
| Synonyms | Source |
|---|---|
| (S)-carlosic acid | ChemIDplus |
| (−)-carlosic acid | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:3614683 | Reaxys |
| CAS:33404-61-4 | ChemIDplus |
| Citations |
|---|