Universal:34dhcinm
trans-caffeate
Default Component
34dhcinm:-1
- trans-caffeate
- Charge: -1
- Formula: C9H7O4
CHEBI:57770
- trans-caffeate
- Type: Small Molecule
- InChiKey: QAIPRVGONGVQAS-DUXPYHPUSA-M
- View on ChEBI
Properties
- Molecular Mass||g/mol: 179.1495[0], 179.0[1,2], 10000000.0[3]
- SMILES: O=C([O-])/C=C/c1ccc(O)c(O)c1[0,1], O=C([O-])/C=C/c1cccc(O)c1O[2]
- Names: (E)-caffeate[0], trans-caffeate anion[0], trans-caffeate(1-)[0], (2E)-3-(3,4-dihydroxyphenyl)acrylate[0], 3,4-dihydroxy-trans-cinnamate[0,1], (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate[0], Caffeate[1], (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid[1], 3,4-Dihydroxy-trans-cinnamate[1], 3,4-Dihydroxycinnamic acid[1], Caffeic acid[1], cis-Caffeic acid[1], trans-Caffeate[1], trans-caffeate[1], trans-caffeic acid[1], 2,3-dihydroxicinnamic acid[2,3], (2E)-3-(2,3-Dihydroxyphenyl)prop-2-enoate[2], (2E)-3-(2,3-dihydroxyphenyl)prop-2-enoate[2], 2,3-dihydroxy-trans-cinnamate[2], 2,3-dihydroxycinnamic acid[2], trans-2,3-Dihydroxycinnamate[2]
Alternative Component
34dhcinm:0
- trans-caffeic acid
- Charge: 0
- Formula: C9H8O4
CHEBI:16433
- trans-caffeic acid
- Type: Small Molecule
- InChiKey: QAIPRVGONGVQAS-DUXPYHPUSA-N
- View on ChEBI
Properties
- Molecular Mass||g/mol: 180.1574[0]
- SMILES: O=C(O)/C=C/c1ccc(O)c(O)c1[0]
- Names: 3,4-Dihydroxy-trans-cinnamate[0], trans-Caffeate[0], (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid[0], 3,4-dihydroxy-trans-cinnamate[0], trans-caffeate[0], CAFFEIC ACID[0], Caffeic acid[0], 3,4-Dihydroxycinnamic acid[0]
Linkouts
- CHEBI: 16433 [0]
- KEGG Compound: C01197 [0], C01481 [0]
- Wikipedia: Caffeic_acid [0]
- HMDB: HMDB0001964 [0]
Metabolite in Models
| BiGG ID | Compartment | Charge | Model | Organism | |
|---|---|---|---|---|---|
| BiGG ID | Compartment | Charge | Model | Organism |