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CHEBI:30887 - isocitric acid
| Formula | C6H8O7 |
| Net Charge | 0 |
| Average Mass | 192.123 |
| Monoisotopic Mass | 192.02700 |
| SMILES | O=C(O)CC(C(=O)O)C(O)C(=O)O |
| InChI | InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13) |
| InChIKey | ODBLHEXUDAPZAU-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Chlamydomonas reinhardtii (ncbitaxon:3055) | - | PubMed (25515814) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | fundamental metabolite Any metabolite produced by all living cells. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| isocitric acid (CHEBI:30887) has role fundamental metabolite (CHEBI:78675) |
| isocitric acid (CHEBI:30887) is a secondary alcohol (CHEBI:35681) |
| isocitric acid (CHEBI:30887) is a tricarboxylic acid (CHEBI:27093) |
| isocitric acid (CHEBI:30887) is conjugate acid of isocitrate(1−) (CHEBI:36454) |
| Incoming Relation(s) |
| 2-caffeoylisocitric acid (CHEBI:16166) has functional parent isocitric acid (CHEBI:30887) |
| methylisocitric acid (CHEBI:25311) has functional parent isocitric acid (CHEBI:30887) |
| D-erythro-isocitric acid (CHEBI:160) is a isocitric acid (CHEBI:30887) |
| D-threo-isocitric acid (CHEBI:151) is a isocitric acid (CHEBI:30887) |
| L-erythro-isocitric acid (CHEBI:43291) is a isocitric acid (CHEBI:30887) |
| L-threo-isocitric acid (CHEBI:30889) is a isocitric acid (CHEBI:30887) |
| isocitrate(1−) (CHEBI:36454) is conjugate base of isocitric acid (CHEBI:30887) |
| IUPAC Names |
|---|
| 1-hydroxypropane-1,2,3-tricarboxylic acid |
| 3-carboxy-2,3-dideoxypentaric acid |
| Synonyms | Source |
|---|---|
| 1-Hydroxypropane-1,2,3-tricarboxylic acid | KEGG COMPOUND |
| 1-Hydroxytricarballylic acid | KEGG COMPOUND |
| Isocitric acid | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C00001188 | KNApSAcK |
| C00311 | KEGG COMPOUND |
| DB01727 | DrugBank |
| ECMDB04088 | ECMDB |
| HMDB0000193 | HMDB |
| Isocitrate | MetaCyc |
| Isocitric_acid | Wikipedia |
| YMDB00026 | YMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1727945 | Reaxys |
| CAS:320-77-4 | ChemIDplus |
| CAS:320-77-4 | KEGG COMPOUND |
| Citations |
|---|