Universal:icit
isocitrate(3-)
Default Component
icit:-3
- isocitrate(3-)
- Charge: -3
- Formula: C6H5O7
CHEBI:16087
- isocitrate(3-)
- Type: Small Molecule
- InChiKey: ODBLHEXUDAPZAU-UHFFFAOYSA-K
- View on ChEBI
Properties
- Molecular Mass||g/mol: 189.0997[0], 189.0[1,2]
- SMILES: O=C([O-])CC(C(=O)[O-])C(O)C(=O)[O-][0,1], O=C([O-])C[C@H](C(=O)[O-])[C@@H](O)C(=O)[O-][2]
- Names: 1-hydroxytricarballylate[0], 1-hydroxypropane-1,2,3-tricarboxylate[0], 3-carboxylato-2,3-dideoxypentarate[0], Isocitrate[1], 1-Hydroxypropane-1,2,3-tricarboxylic acid[1], 1-Hydroxytricarballylic acid[1], Isocitric acid[1], D-threo-Isocitric acid[2], (1R, 2S)-1-hydroxypropane-1,2,3-tricarboxylate[2], (1R,2S)-1-Hydroxypropane-1,2,3-tricarboxylate[2], D-isocitrate[2], D-threo-isocitrate[2], D-threo-isocitric acid[2], I-CIT[2], isocitrate[2], isocitric acid[2], threo-Ds-isocitrate[2]
Linkouts
- CHEBI: CHEBI:16087 [0]
- KEGG Compound: C00311 [0,1], C00451 [2]
- HMDB: HMDB0000193 [0]
- MetaCyc Compound: Isocitrate [0], THREO-DS-ISO-CITRATE [2]
- SEED Compound: cpd00260 [1], cpd00353 [2]
- MetaNetX Chemical: MNXM89661 [1], MNXM162 [2]
Alternative Component
icit:-2
- isocitrate(2-)
- Charge: -2
- Formula: C6H6O7
CHEBI:36453
- isocitrate(2-)
- Type: Small Molecule
- InChiKey: ODBLHEXUDAPZAU-UHFFFAOYSA-L
- View on ChEBI
Properties
- Molecular Mass||g/mol: 190.10764[0]
- SMILES: O=C([O-])CC(C(=O)[O-])C(O)C(=O)[O-].[H+][0]
- Names: hydrogen isocitrate[0]
Linkouts
- CHEBI: CHEBI:36453 [0]
Alternative Component
icit:-1
- isocitrate(1-)
- Charge: -1
- Formula: C6H7O7
CHEBI:36454
- isocitrate(1-)
- Type: Small Molecule
- InChiKey: ODBLHEXUDAPZAU-UHFFFAOYSA-M
- View on ChEBI
Properties
- Molecular Mass||g/mol: 191.11558[0]
- SMILES: O=C([O-])CC(C(=O)[O-])C(O)C(=O)[O-].[H+].[H+][0]
- Names: dihydrogen isocitrate[0]
Linkouts
- CHEBI: CHEBI:36454 [0]
Alternative Component
icit:0
- isocitric acid
- Charge: 0
- Formula: C6H8O7
CHEBI:30887
- isocitric acid
- Type: Small Molecule
- InChiKey: ODBLHEXUDAPZAU-UHFFFAOYSA-N
- View on ChEBI
Properties
- Molecular Mass||g/mol: 192.12352[0]
- SMILES: O=C(O)CC(C(=O)O)C(O)C(=O)O[0]
- Names: Isocitric acid[0], 1-Hydroxytricarballylic acid[0], 1-Hydroxypropane-1,2,3-tricarboxylic acid[0], 1-hydroxypropane-1,2,3-tricarboxylic acid[0], 3-carboxy-2,3-dideoxypentaric acid[0]
Linkouts
- CHEBI: CHEBI:30887 [0]
- KEGG Compound: C00311 [0]
- HMDB: HMDB0000193 [0]
- Wikipedia: Isocitric_acid [0]
- MetaCyc Compound: Isocitrate [0]
- DrugBank: DB01727 [0]
Metabolite in Models
| BiGG ID | Compartment | Charge | Model | Organism | |
|---|---|---|---|---|---|
| BiGG ID | Compartment | Charge | Model | Organism |