Universal:3dhq
3-dehydroquinate
Default Component
3dhq:-1
- 3-dehydroquinate
- Charge: -1
- Formula: C7H9O6
CHEBI:32364
- 3-dehydroquinate
- Type: Small Molecule
- InChiKey: WVMWZWGZRAXUBK-SYTVJDICSA-M
- View on ChEBI
Properties
- Molecular Mass||g/mol: 189.14276[0], 189.0[1]
- SMILES: O=C1C[C@@](O)(C(=O)[O-])C[C@@H](O)[C@@H]1O[0,1]
- Names: 3-dehydroquinate[0,1], rel-(1R,3R,4S)-1,3,4-trihydroxy-5-oxocyclohexanecarboxylate[0,1], 5-Dehydroquinate[0,1], 3-Dehydroquinate[0,1], 3-Dehydroquinic acid[1], 3-dehydroquinic acid[1], 5-Dehydroquinic acid[1], 5-de-H-quinate[1], 5-dehydroquinate[1], 5-dehydroquinic acid[1]
Linkouts
- KEGG Compound: C00944 [0,1]
- MetaCyc Compound: DEHYDROQUINATE [0,1]
- CHEBI: 32364 [0]
- SEED Compound: cpd00699 [1]
- MetaNetX Chemical: MNXM478 [1]
Alternative Component
3dhq:0
- 3-dehydroquinic acid
- Charge: 0
- Formula: C7H10O6
CHEBI:17947
- 3-dehydroquinic acid
- Type: Small Molecule
- InChiKey: WVMWZWGZRAXUBK-SYTVJDICSA-N
- View on ChEBI
Properties
- Molecular Mass||g/mol: 190.1507[0]
- SMILES: O=C1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O[0]
- Names: 3-Dehydroquinic acid[0], 5-Dehydroquinic acid[0], rel-(1R,3R,4S)-1,3,4-trihydroxy-5-oxocyclohexanecarboxylic acid[0]
Linkouts
- KEGG Compound: C00944 [0]
- DrugBank: DB03868 [0]
- MetaCyc Compound: DEHYDROQUINATE [0]
- Wikipedia: 3-Dehydroquinic_acid [0]
- HMDB: HMDB0012710 [0]
- CHEBI: 17947 [0]
Metabolite in Models
| BiGG ID | Compartment | Charge | Model | Organism | |
|---|---|---|---|---|---|
| BiGG ID | Compartment | Charge | Model | Organism |