Universal:34dhoxmand
3,4-dihydroxymandelate
Default Component
34dhoxmand:-1
- 3,4-dihydroxymandelate
- Charge: -1
- Formula: C8H7O5
CHEBI:53326
- 3,4-dihydroxymandelate
- Type: Small Molecule
- InChiKey: RGHMISIYKIHAJW-UHFFFAOYSA-M
- View on ChEBI
Properties
- Molecular Mass||g/mol: 183.1382[0], 183.0[1]
- SMILES: O=C([O-])C(O)c1ccc(O)c(O)c1[0], O=C([O-])[C@H](O)c1ccc(O)c(O)c1[1]
- Names: (3,4-dihydroxyphenyl)(hydroxy)acetate[0], 2-(3,4-dihydroxyphenyl)-2-hydroxyacetate[0], Dihydroxymandelic acid[1], 3,4-Dihydroxymandelate[1], 3,4-Dihydroxymandelic acid[1], 3,4-dihydroxymandelate[1], 3,4-dihydroxymandelic acid[1], DHMA[1], dihydroxymandelic acid[1], mandelic acid, 3,4-dihydroxy-[1]
Linkouts
- CHEBI: CHEBI:53326 [0]
- SEED Compound: cpd03310 [1]
- KEGG Compound: C05580 [1]
- MetaCyc Compound: CPD-11879 [1]
- MetaNetX Chemical: MNXM3473 [1]
Alternative Component
34dhoxmand:0
- 3,4-dihydroxymandelic acid
- Charge: 0
- Formula: C8H8O5
CHEBI:27637
- 3,4-dihydroxymandelic acid
- Type: Small Molecule
- InChiKey: RGHMISIYKIHAJW-UHFFFAOYSA-N
- View on ChEBI
Properties
- Molecular Mass||g/mol: 184.1461[0]
- SMILES: O=C(O)C(O)c1ccc(O)c(O)c1[0]
- Names: 3,4-Dihydroxymandelate[0], (3,4-dihydroxyphenyl)(hydroxy)acetic acid[0], 2-(3,4-dihydroxyphenyl)-2-hydroxyacetic acid[0], 3,4-Dihydroxyphenylglycolic acid[0], DOMA[0], 3,4-Dihydroxymandelic acid[0], Dihydroxymandelic acid[0]
Linkouts
- CHEBI: CHEBI:27637 [0]
- KEGG Compound: C05580 [0]
- HMDB: HMDB0001866 [0]
- Wikipedia: 3,4-Dihydroxymandelic_acid [0]
Metabolite in Models
| BiGG ID | Compartment | Charge | Model | Organism | |
|---|---|---|---|---|---|
| BiGG ID | Compartment | Charge | Model | Organism |