- (1R,2S,5S,6S)-2-(3-carboxylatopropanoyl)-5-[(1-carboxylatovinyl)oxy]-6-hydroxycyclohex-3-ene-1-carboxylate
- Charge: -3
- Formula: C14H13O9
- Compartment: c - cytosol
- Universal Metabolite: 2sephchc
CHEBI:58818
- (1R,2S,5S,6S)-2-(3-carboxylatopropanoyl)-5-[(1-carboxylatovinyl)oxy]-6-hydroxycyclohex-3-ene-1-carboxylate
- Type: Small Molecule
- InChiKey: XYCATPIYKOARSZ-OAIFWDMCSA-K
- View on ChEBI
Properties
- Molecular Mass||g/mol: 325.2476[0], 325.0[1]
- SMILES: C=C(O[C@H]1C=C[C@H](C(=O)CCC(=O)[O-])[C@@H](C(=O)[O-])[C@@H]1O)C(=O)[O-][0], C=C(O[C@H]1CC=C(C(=O)CCC(=O)[O-])[C@@H](C(=O)[O-])[C@@H]1O)C(=O)[O-][1]
- Names: 5-enolpyruvoyl-6-hydroxy-2-succinyl-cyclohex-3-ene-1-carboxylate[0,1], (1R,2S,5S,6S)-2-(3-carboxylatopropanoyl)-5-[(1-carboxylatovinyl)oxy]-6-hydroxycyclohex-3-ene-1-carboxylate[0], (1R,2S,5S,6S)-2-(3-carboxylatopropanoyl)-5-[(1-carboxylatoethenyl)oxy]-6-hydroxycyclohex-3-ene-1-carboxylate[0], 2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate[1], 2-succinyl-5-enolpyruvoyl-6-hydroxy-3-cyclohexene-1-carboxylate[1], 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate[1], 5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate[1], SEPHCHC[1]
MEMOTE Flags
This metabolite was flagged in the following MEMOTE tests:
A total of 212 (15.82%) metabolites are not produced by any reaction of the model: __LactoPanGEM__10mdacp_c, __LactoPanGEM__10muacp_c, __LactoPanGEM__11mdacp_c, __LactoPanGEM__12daihdglyc_c, __LactoPanGEM__12daipdglyc_c, ...
Orphans are metabolites that are only consumed but not produced by reactions in the model. They may indicate the presence of network and knowledge gaps. Implementation: Find orphan metabolites structurally by considering only reaction equations and bounds. FBA is not carried out.
Reactions involving 2sephchc_c in GCF_000410035_1_json
| BiGG ID | Name | Reference | Transport | Collection-specific | Model | |
|---|---|---|---|---|---|---|
| BiGG ID | Name | Reference | Transport | Collection-specific | Model |