Difference between revisions of "DIHYDRO-DIOH-BENZOATE"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DIHYDRO-DIOH-BENZOATE DIHYDRO-DIOH-BENZOATE] == * smiles: ** C([O-])(=O)C1(=CC=CC(C1O)O) * comm...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C([O-])(=O)C1(=CC=CC(C1O)O) | ** C([O-])(=O)C1(=CC=CC(C1O)O) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 155.13 | ** 155.13 | ||
| + | * inchi key: | ||
| + | ** InChIKey=INCSWYKICIYAHB-WDSKDSINSA-M | ||
| + | * common name: | ||
| + | ** (2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoate | ||
* Synonym(s): | * Synonym(s): | ||
| Line 16: | Line 16: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
| − | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.19951064.html 19951064] | ** [http://www.chemspider.com/Chemical-Structure.19951064.html 19951064] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266758 45266758] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58764 58764] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58764 58764] | ||
| − | |||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C04171 C04171] | ** [http://www.genome.jp/dbget-bin/www_bget?C04171 C04171] | ||
| + | * BIGG : 23ddhb | ||
{{#set: smiles=C([O-])(=O)C1(=CC=CC(C1O)O)}} | {{#set: smiles=C([O-])(=O)C1(=CC=CC(C1O)O)}} | ||
| − | |||
| − | |||
{{#set: molecular weight=155.13 }} | {{#set: molecular weight=155.13 }} | ||
| + | {{#set: inchi key=InChIKey=INCSWYKICIYAHB-WDSKDSINSA-M}} | ||
| + | {{#set: common name=(2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoate}} | ||
{{#set: consumed by=DHBDEHYD-RXN}} | {{#set: consumed by=DHBDEHYD-RXN}} | ||
Latest revision as of 11:30, 10 January 2019
Contents
Metabolite DIHYDRO-DIOH-BENZOATE
- smiles:
- C([O-])(=O)C1(=CC=CC(C1O)O)
- molecular weight:
- 155.13
- inchi key:
- InChIKey=INCSWYKICIYAHB-WDSKDSINSA-M
- common name:
- (2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoate
- Synonym(s):
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"C([O-])(=O)C1(=CC=CC(C1O)O)" cannot be used as a page name in this wiki.
