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CHEBI:70797 - 1-deoxy-11-oxopentalenic acid
| Formula | C15H20O3 |
| Net Charge | 0 |
| Average Mass | 248.322 |
| Monoisotopic Mass | 248.14124 |
| SMILES | [H][C@@]12CC(=O)[C@@H](C)[C@@]13CC(C)(C)C[C@@]3([H])C=C2C(=O)O |
| InChI | InChI=1S/C15H20O3/c1-8-12(16)5-11-10(13(17)18)4-9-6-14(2,3)7-15(8,9)11/h4,8-9,11H,5-7H2,1-3H3,(H,17,18)/t8-,9-,11+,15-/m1/s1 |
| InChIKey | QNHNMKVZFMGGJB-LIEMUPCESA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-deoxy-11-oxopentalenic acid (CHEBI:70797) has functional parent pentalenene (CHEBI:17251) |
| 1-deoxy-11-oxopentalenic acid (CHEBI:70797) has role metabolite (CHEBI:25212) |
| 1-deoxy-11-oxopentalenic acid (CHEBI:70797) is a 5-oxo monocarboxylic acid (CHEBI:35952) |
| 1-deoxy-11-oxopentalenic acid (CHEBI:70797) is a carbotricyclic compound (CHEBI:38032) |
| 1-deoxy-11-oxopentalenic acid (CHEBI:70797) is a sesquiterpenoid (CHEBI:26658) |
| 1-deoxy-11-oxopentalenic acid (CHEBI:70797) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020) |
| 1-deoxy-11-oxopentalenic acid (CHEBI:70797) is conjugate acid of 1-deoxy-11-oxopentalenate (CHEBI:70780) |
| Incoming Relation(s) |
| 1-deoxy-11-oxopentalenate (CHEBI:70780) is conjugate base of 1-deoxy-11-oxopentalenic acid (CHEBI:70797) |
| IUPAC Name |
|---|
| (1S,3aR,5aS,8aR)-1,7,7-trimethyl-2-oxo-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylic acid |
| Synonym | Source |
|---|---|
| 1-deoxy-11-ketopentalenic acid | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| CPD-13625 | MetaCyc |
| Citations |
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