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100459-00-5 | 2,4-Cyclohexadiene-1-carboxylic acid, 1,6-dihydroxy-, (1R,6S)-rel-
CAS No: 100459-00-5 Catalog No: AG00021R MDL No:
Product Description
Catalog Number:
AG00021R
Chemical Name:
2,4-Cyclohexadiene-1-carboxylic acid, 1,6-dihydroxy-, (1R,6S)-rel-
CAS Number:
100459-00-5
Molecular Formula:
C7H8O4
Molecular Weight:
156.1360
IUPAC Name:
5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid
InChI:
InChI=1S/C7H8O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,5-6,8-9H,(H,10,11)
InChI Key:
INCSWYKICIYAHB-UHFFFAOYSA-N
SMILES:
OC(=O)[C@@]1(O)C=CC=C[C@@H]1O
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.042g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
156.137g/mol
Monoisotopic Mass:
156.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| Structural insight into the ISC domain of VibB from Vibrio cholerae at atomic resolution: a snapshot just before the enzymatic reaction. | Acta crystallographica. Section D, Biological crystallography 20121001 |
| The Acinetobacter baumannii entA gene located outside the acinetobactin cluster is critical for siderophore production, iron acquisition and virulence. | PloS one 20120101 |
| Investigation of the biosynthetic potential of endophytes in traditional Chinese anticancer herbs. | PloS one 20120101 |
| Gene repertoire evolution of Streptococcus pyogenes inferred from phylogenomic analysis with Streptococcus canis and Streptococcus dysgalactiae. | PloS one 20120101 |
| Complete genome sequence of the filamentous gliding predatory bacterium Herpetosiphon aurantiacus type strain (114-95(T)). | Standards in genomic sciences 20111231 |
| Genetic and biochemical analyses of chromosome and plasmid gene homologues encoding ICL and ArCP domains in Vibrio anguillarum strain 775. | Biometals : an international journal on the role of metal ions in biology, biochemistry, and medicine 20110801 |
| Enzymatic adenylation of 2,3-dihydroxybenzoate is enhanced by a protein-protein interaction between Escherichia coli 2,3-dihydro-2,3-dihydroxybenzoate dehydrogenase (EntA) and 2,3-dihydroxybenzoate-AMP ligase (EntE). | Biochemistry 20110201 |
| Comparative genomics of Gardnerella vaginalis strains reveals substantial differences in metabolic and virulence potential. | PloS one 20100101 |
| Using gene expression data and network topology to detect substantial pathways, clusters and switches during oxygen deprivation of Escherichia coli. | BMC bioinformatics 20070101 |
| Determination of the crystal structure of EntA, a 2,3-dihydro-2,3-dihydroxybenzoic acid dehydrogenase from Escherichia coli. | Acta crystallographica. Section D, Biological crystallography 20060701 |
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