Basic information
- CAS
27840-48-8- Standard SMILES
C=C(OC1CC(C(=O)O)=CC(OP(=O)(O)O)C1O)C(=O)O- InChIKey
QUTYKIXIUDQOLK-UHFFFAOYSA-N- Molecular formula
- C10H13O10P
- Average molar mass
- 324.18 g/mol
- Monoisotopic mass
- 324.0246336
Overview
1-Cyclohexene-1-carboxylic acid, 5-((1-carboxyethenyl)oxy)-4-hydroxy-3-(phosphonooxy)- has been reported in Escherichia coli with data available.
Names & identifiers
- Preferred name
- 5-Enolpyruvoylshikimate-3-phosphate
- IUPAC
- 5-(1-carboxyethenoxy)-4-hydroxy-3-phosphonooxycyclohexene-1-carboxylic acid
- English name
- 5-enolpyruvoylshikimate-3-phosphate
- Molecular formula
- C10H13O10P
- Molecular weight
- 324.18
Names & synonyms
5-Epsp27840-48-85-Enolpyruvoylshikimate-3-phosphateRefChem:9133381-Cyclohexene-1-carboxylic acid, 5-((1-carboxyethenyl)oxy)-4-hydroxy-3-(phosphonooxy)-SCHEMBL850802DTXSID209505135-(1-carboxyethenoxy)-4-hydroxy-3-phosphonooxycyclohexene-1-carboxylic acid5-[(1-Carboxyethen-1-yl)oxy]-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid5-[(1-Carboxyethenyl)oxy]-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid1-Cyclohexene-1-carboxylic acid, 5-[(1-carboxyethenyl)oxy]-4-hydroxy-3-(phosphonooxy)-
Database identifiers
- CAS
27840-48-8- PubChem CID
- 82
- DTXSID
DTXSID20950513- Nikkaji
- J39.258H
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 171 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 532
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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