EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C14H16O7 |
| Net Charge | 0 |
| Average Mass | 296.275 |
| Monoisotopic Mass | 296.08960 |
| SMILES | O=C(O)c1cccc(C(=O)CC[C@H]2OC(O)[C@H](O)[C@@H]2O)c1 |
| InChI | InChI=1S/C14H16O7/c15-9(7-2-1-3-8(6-7)13(18)19)4-5-10-11(16)12(17)14(20)21-10/h1-3,6,10-12,14,16-17,20H,4-5H2,(H,18,19)/t10-,11-,12-,14?/m1/s1 |
| InChIKey | XWPBBHHZDYSYMS-ZXRVKKJVSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| dehypoxanthine futalosine (CHEBI:51312) has functional parent futalosine (CHEBI:51310) |
| dehypoxanthine futalosine (CHEBI:51312) is a benzoic acids (CHEBI:22723) |
| dehypoxanthine futalosine (CHEBI:51312) is conjugate acid of dehypoxanthine futalosinate (CHEBI:58864) |
| Incoming Relation(s) |
| dehypoxanthine futalosinate (CHEBI:58864) is conjugate base of dehypoxanthine futalosine (CHEBI:51312) |
| IUPAC Name |
|---|
| 3-{3-[(2R,3S,4R)-3,4,5-trihydroxytetrahydrofuran-2-yl]propanoyl}benzoic acid |
| Synonyms | Source |
|---|---|
| de-hypoxanthine futalosine | ChEBI |
| de(hypoxanthine)futalosine | ChEBI |
| Dehypoxanthine futalosine | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C17010 | KEGG COMPOUND |
| Citations |
|---|