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CHEBI:29069 - phthalic acid
| Formula | C8H6O4 |
| Net Charge | 0 |
| Average Mass | 166.132 |
| Monoisotopic Mass | 166.02661 |
| SMILES | O=C(O)c1ccccc1C(=O)O |
| InChI | InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12) |
| InChIKey | XNGIFLGASWRNHJ-UHFFFAOYSA-N |
| Wikipedia |
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| Roles Classification |
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| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. |
| ChEBI Ontology |
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| Outgoing Relation(s) |
| phthalic acid (CHEBI:29069) has role human xenobiotic metabolite (CHEBI:76967) |
| phthalic acid (CHEBI:29069) is a benzenedicarboxylic acid (CHEBI:26094) |
| phthalic acid (CHEBI:29069) is conjugate acid of phthalate(1−) (CHEBI:30800) |
| Incoming Relation(s) |
| N-alkylphthalic monoamide (CHEBI:28900) has functional parent phthalic acid (CHEBI:29069) |
| 3,4-dihydroxyphthalic acid (CHEBI:17416) has functional parent phthalic acid (CHEBI:29069) |
| 4-hydroxyphthalic acid (CHEBI:27600) has functional parent phthalic acid (CHEBI:29069) |
| 4,5-dihydroxyphthalic acid (CHEBI:17199) has functional parent phthalic acid (CHEBI:29069) |
| cyhalodiamide (CHEBI:87541) has functional parent phthalic acid (CHEBI:29069) |
| phthalamide (CHEBI:38799) has functional parent phthalic acid (CHEBI:29069) |
| phthalate ester (CHEBI:35484) has functional parent phthalic acid (CHEBI:29069) |
| phthalylsulfathiazole (CHEBI:9336) has functional parent phthalic acid (CHEBI:29069) |
| phthalate(1−) (CHEBI:30800) is conjugate base of phthalic acid (CHEBI:29069) |
| IUPAC Name |
|---|
| benzene-1,2-dicarboxylic acid |
| Synonyms | Source |
|---|---|
| 1,2-Benzenedicarboxylic acid | KEGG COMPOUND |
| o-benzenedicarboxylic acid | NIST Chemistry WebBook |
| ortho-phthalic acid | ChEBI |
| Phthalic acid | KEGG COMPOUND |
| PHTHALIC ACID | PDBeChem |
| Citations |
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