Difference between revisions of "CPD-289"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-289 CPD-289] == * smiles: ** C1(=CC(C(C=C1)O)O) * common name: ** (1R,2R)-cyclohexa-3,5-die...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C1(=CC(C(C=C1)O)O) | ** C1(=CC(C(C=C1)O)O) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 112.128 | ** 112.128 | ||
| + | * inchi key: | ||
| + | ** InChIKey=YDRSQRPHLBEPTP-PHDIDXHHSA-N | ||
| + | * common name: | ||
| + | ** (1R,2R)-cyclohexa-3,5-diene-1,2-diol | ||
* Synonym(s): | * Synonym(s): | ||
** trans-1,2-dihydrobenzene-1,2-diol | ** trans-1,2-dihydrobenzene-1,2-diol | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| + | * [[1.3.1.20-RXN]] | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| − | |||
== External links == | == External links == | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=10702 10702] | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=149186 149186] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=149186 149186] | ||
| − | |||
| − | |||
* HMDB : HMDB01164 | * HMDB : HMDB01164 | ||
| − | |||
| − | |||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C04221 C04221] | ** [http://www.genome.jp/dbget-bin/www_bget?C04221 C04221] | ||
| + | * CHEMSPIDER: | ||
| + | ** [http://www.chemspider.com/Chemical-Structure.131491.html 131491] | ||
{{#set: smiles=C1(=CC(C(C=C1)O)O)}} | {{#set: smiles=C1(=CC(C(C=C1)O)O)}} | ||
| − | |||
| − | |||
{{#set: molecular weight=112.128 }} | {{#set: molecular weight=112.128 }} | ||
| + | {{#set: inchi key=InChIKey=YDRSQRPHLBEPTP-PHDIDXHHSA-N}} | ||
| + | {{#set: common name=(1R,2R)-cyclohexa-3,5-diene-1,2-diol}} | ||
{{#set: common name=trans-1,2-dihydrobenzene-1,2-diol}} | {{#set: common name=trans-1,2-dihydrobenzene-1,2-diol}} | ||
| − | {{#set: | + | {{#set: consumed by=1.3.1.20-RXN}} |
Latest revision as of 12:56, 10 January 2019
Contents
Metabolite CPD-289
- smiles:
- C1(=CC(C(C=C1)O)O)
- molecular weight:
- 112.128
- inchi key:
- InChIKey=YDRSQRPHLBEPTP-PHDIDXHHSA-N
- common name:
- (1R,2R)-cyclohexa-3,5-diene-1,2-diol
- Synonym(s):
- trans-1,2-dihydrobenzene-1,2-diol
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
