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CHEBI:15608 - (2S,3S)-2-hydroxytridecane-1,2,3-tricarboxylic acid
| Formula | C16H28O7 |
| Net Charge | 0 |
| Average Mass | 332.393 |
| Monoisotopic Mass | 332.18350 |
| SMILES | CCCCCCCCCC[C@H](C(=O)O)[C@@](O)(CC(=O)O)C(=O)O |
| InChI | InChI=1S/C16H28O7/c1-2-3-4-5-6-7-8-9-10-12(14(19)20)16(23,15(21)22)11-13(17)18/h12,23H,2-11H2,1H3,(H,17,18)(H,19,20)(H,21,22)/t12-,16+/m1/s1 |
| InChIKey | DQIHPEKINXOMBM-WBMJQRKESA-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) |
| (2S,3S)-2-hydroxytridecane-1,2,3-tricarboxylic acid (CHEBI:15608) is a tricarboxylic acid (CHEBI:27093) |
| (2S,3S)-2-hydroxytridecane-1,2,3-tricarboxylic acid (CHEBI:15608) is conjugate acid of (2S,3S)-2-hydroxytridecane-1,2,3-tricarboxylate (CHEBI:57430) |
| Incoming Relation(s) |
| (2S,3S)-2-hydroxytridecane-1,2,3-tricarboxylate (CHEBI:57430) is conjugate base of (2S,3S)-2-hydroxytridecane-1,2,3-tricarboxylic acid (CHEBI:15608) |
| IUPAC Name |
|---|
| (2S,3S)-2-hydroxytridecane-1,2,3-tricarboxylic acid |
| Synonyms | Source |
|---|---|
| (2S,3S)-2-Hydroxytridecane-1,2,3-tricarboxylate | KEGG COMPOUND |
| (2S,3S)-2-hydroxytridecane-1,2,3-tricarboxylate | ChEBI |